data_17524 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of Mitotic checkpoint serine/threonine-protein kinase BUB1 N-terminal domain from Homo sapiens, Northeast Structural Genomics Consortium Target HR5460A ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu G. . . 2 Xiao R. . . 3 Lee H. . . 4 Hamilton K. . . 5 Acton T. B. . 6 Ciccosanti C. . . 7 Everett J. K. . 8 Shastry R. T. . 9 Huang Y. J. . 10 Montelione G. T. . stop_ _BMRB_accession_number 17524 _BMRB_flat_file_name bmr17524.str _Entry_type original _Submission_date 2011-03-14 _Accession_date 2011-03-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 residual_dipolar_couplings 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 955 "13C chemical shifts" 695 "15N chemical shifts" 156 "residual dipolar couplings" 84 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-09 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Northeast Structural Genomics Consortium Target HR5460A' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu G. . . 2 Shastry R. . . 3 Ciccosanti C. . . 4 Hamilton K. . . 5 Acton T. B. . 6 Xiao R. . . 7 Everett J. K. . 8 Montelione G. T. . stop_ _Journal_abbreviation 'To be published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name hr55460a _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HR5460A $HR5460A stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HR5460A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HR5460A _Molecular_mass 19209.656 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 160 _Mol_residue_sequence ; MGHHHHHHSHMDTPENVLQM LEAHMQSYKGNDPLGEWERY IQWVEENFPENKEYLITLLE HLMKEFLDKKKYHNDPRFIS YCLKFAEYNSDLHQFFEFLY NHGIGTLSSPLYIAWAGHLE AQGELQHASAVLQRGIQNQA EPREFLQQQYRLFQTRLTET ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -9 MET 2 -8 GLY 3 -7 HIS 4 -6 HIS 5 -5 HIS 6 -4 HIS 7 -3 HIS 8 -2 HIS 9 -1 SER 10 0 HIS 11 1 MET 12 2 ASP 13 3 THR 14 4 PRO 15 5 GLU 16 6 ASN 17 7 VAL 18 8 LEU 19 9 GLN 20 10 MET 21 11 LEU 22 12 GLU 23 13 ALA 24 14 HIS 25 15 MET 26 16 GLN 27 17 SER 28 18 TYR 29 19 LYS 30 20 GLY 31 21 ASN 32 22 ASP 33 23 PRO 34 24 LEU 35 25 GLY 36 26 GLU 37 27 TRP 38 28 GLU 39 29 ARG 40 30 TYR 41 31 ILE 42 32 GLN 43 33 TRP 44 34 VAL 45 35 GLU 46 36 GLU 47 37 ASN 48 38 PHE 49 39 PRO 50 40 GLU 51 41 ASN 52 42 LYS 53 43 GLU 54 44 TYR 55 45 LEU 56 46 ILE 57 47 THR 58 48 LEU 59 49 LEU 60 50 GLU 61 51 HIS 62 52 LEU 63 53 MET 64 54 LYS 65 55 GLU 66 56 PHE 67 57 LEU 68 58 ASP 69 59 LYS 70 60 LYS 71 61 LYS 72 62 TYR 73 63 HIS 74 64 ASN 75 65 ASP 76 66 PRO 77 67 ARG 78 68 PHE 79 69 ILE 80 70 SER 81 71 TYR 82 72 CYS 83 73 LEU 84 74 LYS 85 75 PHE 86 76 ALA 87 77 GLU 88 78 TYR 89 79 ASN 90 80 SER 91 81 ASP 92 82 LEU 93 83 HIS 94 84 GLN 95 85 PHE 96 86 PHE 97 87 GLU 98 88 PHE 99 89 LEU 100 90 TYR 101 91 ASN 102 92 HIS 103 93 GLY 104 94 ILE 105 95 GLY 106 96 THR 107 97 LEU 108 98 SER 109 99 SER 110 100 PRO 111 101 LEU 112 102 TYR 113 103 ILE 114 104 ALA 115 105 TRP 116 106 ALA 117 107 GLY 118 108 HIS 119 109 LEU 120 110 GLU 121 111 ALA 122 112 GLN 123 113 GLY 124 114 GLU 125 115 LEU 126 116 GLN 127 117 HIS 128 118 ALA 129 119 SER 130 120 ALA 131 121 VAL 132 122 LEU 133 123 GLN 134 124 ARG 135 125 GLY 136 126 ILE 137 127 GLN 138 128 ASN 139 129 GLN 140 130 ALA 141 131 GLU 142 132 PRO 143 133 ARG 144 134 GLU 145 135 PHE 146 136 LEU 147 137 GLN 148 138 GLN 149 139 GLN 150 140 TYR 151 141 ARG 152 142 LEU 153 143 PHE 154 144 GLN 155 145 THR 156 146 ARG 157 147 LEU 158 148 THR 159 149 GLU 160 150 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2011-05-21 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LAH "Solution Nmr Structure Of Mitotic Checkpoint SerineTHREONINE-Protein Kinase Bub1 N-Terminal Domain From Homo Sapiens, Northeast" 100.00 160 100.00 100.00 3.15e-90 DBJ BAF83910 "unnamed protein product [Homo sapiens]" 93.75 1085 100.00 100.00 3.34e-86 GB AAC06259 "mitotic checkpoint kinase Bub1 [Homo sapiens]" 93.75 1085 99.33 100.00 8.72e-86 GB AAH17038 "BUB1 protein [Homo sapiens]" 93.75 827 100.00 100.00 6.46e-87 REF NP_004327 "mitotic checkpoint serine/threonine-protein kinase BUB1 [Homo sapiens]" 93.75 1085 100.00 100.00 4.15e-86 REF XP_001142040 "PREDICTED: mitotic checkpoint serine/threonine-protein kinase BUB1 isoform 1 [Pan troglodytes]" 93.75 1085 99.33 99.33 1.39e-85 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HR5460A Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $HR5460A 'recombinant technology' . Escherichia coli . 'pET 14-15C' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_NC _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR5460A 1.164 mM '[U-100% 13C; U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_NC5 _Saveframe_category sample _Sample_type solution _Details '10mM Tris-HCl pH 7.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR5460A 1.033 mM '[U-10% 13C; U-100% 15N]' H2O 95 % 'natural abundance' D2O 95 % 'natural abundance' NaCl 100 mM 'natural abundance' NaN3 0.02 % 'natural abundance' DTT 4 mM 'natural abundance' Tris-HCl 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'refinemen,structure solution,geometry optimization' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'refinement,geometry optimization,structure solution' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStructure _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'data analysis,refinement' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'data analysis,chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis,peak picking,chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Shen, Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_NC save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_NC5 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_NC save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_NC save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_NC save_ save_3D_1H-13C_arom_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C arom NOESY' _Sample_label $sample_NC save_ save_3D_simutaneous_13C-aromatic,13C-aliphatic,15N_edited_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _Sample_label $sample_NC save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_NC5 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 n/a indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 n/a indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' stop_ loop_ _Sample_label $sample_NC stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name HR5460A _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 11 MET HA H 4.473 0.020 1 2 1 11 MET HB2 H 2.009 0.020 2 3 1 11 MET HB3 H 1.891 0.020 2 4 1 11 MET HG2 H 2.394 0.020 2 5 1 11 MET HG3 H 2.308 0.020 2 6 1 11 MET C C 175.568 0.400 1 7 1 11 MET CA C 54.729 0.400 1 8 1 11 MET CB C 32.694 0.400 1 9 1 11 MET CG C 31.979 0.400 1 10 2 12 ASP H H 8.411 0.020 1 11 2 12 ASP HA H 4.788 0.020 1 12 2 12 ASP HB2 H 2.737 0.020 2 13 2 12 ASP HB3 H 2.735 0.020 2 14 2 12 ASP C C 175.876 0.400 1 15 2 12 ASP CA C 54.651 0.400 1 16 2 12 ASP CB C 41.362 0.400 1 17 2 12 ASP N N 121.083 0.400 1 18 3 13 THR H H 8.193 0.020 1 19 3 13 THR HA H 4.691 0.020 1 20 3 13 THR HB H 4.483 0.020 1 21 3 13 THR HG2 H 1.237 0.020 1 22 3 13 THR CA C 58.927 0.400 1 23 3 13 THR CB C 69.303 0.400 1 24 3 13 THR CG2 C 21.785 0.400 1 25 3 13 THR N N 112.768 0.400 1 26 4 14 PRO HA H 3.929 0.020 1 27 4 14 PRO HB2 H 1.689 0.020 2 28 4 14 PRO HB3 H 1.763 0.020 2 29 4 14 PRO HG2 H 0.702 0.020 2 30 4 14 PRO HG3 H 1.689 0.020 2 31 4 14 PRO HD2 H 3.620 0.020 2 32 4 14 PRO HD3 H 3.333 0.020 2 33 4 14 PRO C C 177.606 0.400 1 34 4 14 PRO CA C 64.751 0.400 1 35 4 14 PRO CB C 31.207 0.400 1 36 4 14 PRO CG C 27.019 0.400 1 37 4 14 PRO CD C 50.025 0.400 1 38 5 15 GLU H H 8.466 0.020 1 39 5 15 GLU HA H 3.848 0.020 1 40 5 15 GLU HB2 H 1.864 0.020 2 41 5 15 GLU HB3 H 1.931 0.020 2 42 5 15 GLU HG2 H 2.154 0.020 2 43 5 15 GLU HG3 H 2.271 0.020 2 44 5 15 GLU C C 178.153 0.400 1 45 5 15 GLU CA C 59.395 0.400 1 46 5 15 GLU CB C 28.668 0.400 1 47 5 15 GLU CG C 36.210 0.400 1 48 5 15 GLU N N 116.468 0.400 1 49 6 16 ASN H H 8.029 0.020 1 50 6 16 ASN HA H 4.583 0.020 1 51 6 16 ASN HB2 H 2.925 0.020 1 52 6 16 ASN HB3 H 2.926 0.020 1 53 6 16 ASN HD21 H 7.850 0.020 2 54 6 16 ASN HD22 H 6.931 0.020 2 55 6 16 ASN C C 177.503 0.400 1 56 6 16 ASN CA C 55.111 0.400 1 57 6 16 ASN CB C 38.326 0.400 1 58 6 16 ASN N N 119.283 0.400 1 59 6 16 ASN ND2 N 111.437 0.400 1 60 7 17 VAL H H 7.947 0.020 1 61 7 17 VAL HA H 3.749 0.020 1 62 7 17 VAL HB H 2.167 0.020 1 63 7 17 VAL HG1 H 0.971 0.020 1 64 7 17 VAL HG2 H 0.970 0.020 1 65 7 17 VAL C C 177.588 0.400 1 66 7 17 VAL CA C 66.105 0.400 1 67 7 17 VAL CB C 31.128 0.400 1 68 7 17 VAL CG1 C 21.158 0.400 1 69 7 17 VAL CG2 C 22.923 0.400 1 70 7 17 VAL N N 121.312 0.400 1 71 8 18 LEU H H 7.887 0.020 1 72 8 18 LEU HA H 3.788 0.020 1 73 8 18 LEU HB2 H 1.376 0.020 2 74 8 18 LEU HB3 H 1.555 0.020 2 75 8 18 LEU HG H 1.287 0.020 1 76 8 18 LEU HD1 H 0.475 0.020 2 77 8 18 LEU HD2 H 0.342 0.020 2 78 8 18 LEU C C 178.222 0.400 1 79 8 18 LEU CA C 57.464 0.400 1 80 8 18 LEU CB C 40.708 0.400 1 81 8 18 LEU CG C 26.374 0.400 1 82 8 18 LEU CD1 C 23.199 0.400 1 83 8 18 LEU CD2 C 23.490 0.400 1 84 8 18 LEU N N 120.540 0.400 1 85 9 19 GLN H H 7.915 0.020 1 86 9 19 GLN HA H 3.952 0.020 1 87 9 19 GLN HB2 H 2.147 0.020 2 88 9 19 GLN HB3 H 2.067 0.020 2 89 9 19 GLN HG2 H 2.360 0.020 2 90 9 19 GLN HG3 H 2.469 0.020 2 91 9 19 GLN HE21 H 7.435 0.020 2 92 9 19 GLN HE22 H 6.751 0.020 2 93 9 19 GLN C C 178.992 0.400 1 94 9 19 GLN CA C 58.865 0.400 1 95 9 19 GLN CB C 27.812 0.400 1 96 9 19 GLN CG C 33.725 0.400 1 97 9 19 GLN N N 118.097 0.400 1 98 9 19 GLN NE2 N 111.274 0.400 1 99 10 20 MET H H 7.866 0.020 1 100 10 20 MET HA H 4.063 0.020 1 101 10 20 MET HB2 H 2.229 0.020 2 102 10 20 MET HB3 H 2.114 0.020 2 103 10 20 MET HG2 H 2.480 0.020 2 104 10 20 MET HG3 H 2.637 0.020 2 105 10 20 MET HE H 1.953 0.020 1 106 10 20 MET C C 178.479 0.400 1 107 10 20 MET CA C 58.401 0.400 1 108 10 20 MET CB C 31.936 0.400 1 109 10 20 MET CG C 31.418 0.400 1 110 10 20 MET CE C 16.685 0.400 1 111 10 20 MET N N 119.700 0.400 1 112 11 21 LEU H H 7.523 0.020 1 113 11 21 LEU HA H 3.236 0.020 1 114 11 21 LEU HB2 H 0.499 0.020 2 115 11 21 LEU HB3 H 1.234 0.020 2 116 11 21 LEU HG H 0.500 0.020 1 117 11 21 LEU HD1 H -0.198 0.020 2 118 11 21 LEU HD2 H -0.503 0.020 2 119 11 21 LEU C C 178.068 0.400 1 120 11 21 LEU CA C 57.464 0.400 1 121 11 21 LEU CB C 40.193 0.400 1 122 11 21 LEU CG C 26.435 0.400 1 123 11 21 LEU CD1 C 22.901 0.400 1 124 11 21 LEU CD2 C 23.653 0.400 1 125 11 21 LEU N N 122.823 0.400 1 126 12 22 GLU H H 8.372 0.020 1 127 12 22 GLU HA H 3.688 0.020 1 128 12 22 GLU HB2 H 1.905 0.020 2 129 12 22 GLU HB3 H 2.000 0.020 2 130 12 22 GLU HG2 H 2.280 0.020 2 131 12 22 GLU HG3 H 2.028 0.020 2 132 12 22 GLU C C 179.301 0.400 1 133 12 22 GLU CA C 59.747 0.400 1 134 12 22 GLU CB C 28.875 0.400 1 135 12 22 GLU CG C 36.325 0.400 1 136 12 22 GLU N N 119.592 0.400 1 137 13 23 ALA H H 7.848 0.020 1 138 13 23 ALA HA H 4.073 0.020 1 139 13 23 ALA HB H 1.420 0.020 1 140 13 23 ALA C C 180.482 0.400 1 141 13 23 ALA CA C 54.694 0.400 1 142 13 23 ALA CB C 17.509 0.400 1 143 13 23 ALA N N 120.877 0.400 1 144 14 24 HIS H H 7.856 0.020 1 145 14 24 HIS HA H 4.215 0.020 1 146 14 24 HIS HB2 H 3.193 0.020 2 147 14 24 HIS HB3 H 3.037 0.020 2 148 14 24 HIS HD2 H 6.717 0.020 1 149 14 24 HIS C C 178.667 0.400 1 150 14 24 HIS CA C 59.423 0.400 1 151 14 24 HIS CB C 30.388 0.400 1 152 14 24 HIS CD2 C 117.552 0.400 1 153 14 24 HIS N N 119.928 0.400 1 154 15 25 MET H H 8.547 0.020 1 155 15 25 MET HA H 4.449 0.020 1 156 15 25 MET HB2 H 2.070 0.020 2 157 15 25 MET HB3 H 2.124 0.020 2 158 15 25 MET HG2 H 2.541 0.020 2 159 15 25 MET HG3 H 2.387 0.020 2 160 15 25 MET HE H 1.915 0.020 1 161 15 25 MET C C 179.694 0.400 1 162 15 25 MET CA C 55.313 0.400 1 163 15 25 MET CB C 28.788 0.400 1 164 15 25 MET CG C 30.277 0.400 1 165 15 25 MET CE C 14.658 0.400 1 166 15 25 MET N N 116.248 0.400 1 167 16 26 GLN H H 7.843 0.020 1 168 16 26 GLN HA H 4.149 0.020 1 169 16 26 GLN HB2 H 2.168 0.020 2 170 16 26 GLN HB3 H 2.166 0.020 2 171 16 26 GLN HG2 H 2.580 0.020 2 172 16 26 GLN HG3 H 2.495 0.020 2 173 16 26 GLN HE21 H 6.815 0.020 2 174 16 26 GLN HE22 H 7.529 0.020 2 175 16 26 GLN C C 177.212 0.400 1 176 16 26 GLN CA C 58.123 0.400 1 177 16 26 GLN CB C 28.109 0.400 1 178 16 26 GLN CG C 33.760 0.400 1 179 16 26 GLN N N 118.769 0.400 1 180 16 26 GLN NE2 N 111.828 0.400 1 181 17 27 SER H H 7.373 0.020 1 182 17 27 SER HA H 4.529 0.020 1 183 17 27 SER HB2 H 3.947 0.020 2 184 17 27 SER HB3 H 3.859 0.020 2 185 17 27 SER C C 173.360 0.400 1 186 17 27 SER CA C 57.908 0.400 1 187 17 27 SER CB C 64.086 0.400 1 188 17 27 SER N N 111.336 0.400 1 189 18 28 TYR H H 7.414 0.020 1 190 18 28 TYR HA H 4.333 0.020 1 191 18 28 TYR HB2 H 3.003 0.020 2 192 18 28 TYR HB3 H 2.891 0.020 2 193 18 28 TYR HD1 H 7.217 0.020 1 194 18 28 TYR HD2 H 7.217 0.020 1 195 18 28 TYR HE1 H 6.577 0.020 1 196 18 28 TYR HE2 H 6.577 0.020 1 197 18 28 TYR CA C 58.822 0.400 1 198 18 28 TYR CB C 38.463 0.400 1 199 18 28 TYR CD1 C 133.413 0.400 1 200 18 28 TYR CD2 C 133.517 0.400 1 201 18 28 TYR CE1 C 118.135 0.400 1 202 18 28 TYR CE2 C 118.378 0.400 1 203 18 28 TYR N N 123.757 0.400 1 204 19 29 LYS HA H 4.426 0.020 1 205 19 29 LYS HB2 H 1.443 0.020 2 206 19 29 LYS HB3 H 1.905 0.020 2 207 19 29 LYS HG2 H 1.389 0.020 2 208 19 29 LYS HG3 H 1.290 0.020 2 209 19 29 LYS HD2 H 1.548 0.020 2 210 19 29 LYS HD3 H 1.612 0.020 2 211 19 29 LYS HE2 H 2.931 0.020 2 212 19 29 LYS HE3 H 2.936 0.020 2 213 19 29 LYS C C 176.099 0.400 1 214 19 29 LYS CA C 53.951 0.400 1 215 19 29 LYS CB C 32.624 0.400 1 216 19 29 LYS CG C 23.874 0.400 1 217 19 29 LYS CD C 28.249 0.400 1 218 19 29 LYS CE C 41.920 0.400 1 219 20 30 GLY H H 5.130 0.020 1 220 20 30 GLY HA2 H 4.097 0.020 2 221 20 30 GLY HA3 H 3.543 0.020 2 222 20 30 GLY CA C 44.654 0.400 1 223 20 30 GLY N N 105.157 0.400 1 224 22 32 ASP HA H 5.635 0.020 1 225 22 32 ASP HB2 H 2.691 0.020 2 226 22 32 ASP HB3 H 2.904 0.020 2 227 22 32 ASP CA C 51.217 0.400 1 228 22 32 ASP CB C 40.826 0.400 1 229 23 33 PRO HA H 4.061 0.020 1 230 23 33 PRO HB2 H 2.227 0.020 2 231 23 33 PRO HB3 H 2.580 0.020 2 232 23 33 PRO HG2 H 2.476 0.020 2 233 23 33 PRO HG3 H 2.313 0.020 2 234 23 33 PRO HD2 H 4.453 0.020 2 235 23 33 PRO HD3 H 3.728 0.020 2 236 23 33 PRO C C 178.770 0.400 1 237 23 33 PRO CA C 65.340 0.400 1 238 23 33 PRO CB C 31.621 0.400 1 239 23 33 PRO CG C 27.797 0.400 1 240 23 33 PRO CD C 50.593 0.400 1 241 24 34 LEU H H 7.504 0.020 1 242 24 34 LEU HA H 3.795 0.020 1 243 24 34 LEU HB2 H 1.343 0.020 2 244 24 34 LEU HB3 H 0.258 0.020 2 245 24 34 LEU HG H 1.227 0.020 1 246 24 34 LEU HD1 H 0.147 0.020 2 247 24 34 LEU HD2 H 0.471 0.020 2 248 24 34 LEU C C 177.880 0.400 1 249 24 34 LEU CA C 57.666 0.400 1 250 24 34 LEU CB C 40.671 0.400 1 251 24 34 LEU CG C 26.601 0.400 1 252 24 34 LEU CD1 C 23.141 0.400 1 253 24 34 LEU CD2 C 26.688 0.400 1 254 24 34 LEU N N 117.558 0.400 1 255 25 35 GLY H H 7.627 0.020 1 256 25 35 GLY HA2 H 4.076 0.020 1 257 25 35 GLY HA3 H 4.075 0.020 1 258 25 35 GLY C C 176.185 0.400 1 259 25 35 GLY CA C 47.279 0.400 1 260 25 35 GLY N N 105.613 0.400 1 261 26 36 GLU H H 7.294 0.020 1 262 26 36 GLU HA H 4.089 0.020 1 263 26 36 GLU HB2 H 1.897 0.020 2 264 26 36 GLU HB3 H 2.087 0.020 2 265 26 36 GLU HG2 H 1.656 0.020 2 266 26 36 GLU HG3 H 1.198 0.020 2 267 26 36 GLU C C 178.855 0.400 1 268 26 36 GLU CA C 57.560 0.400 1 269 26 36 GLU CB C 29.786 0.400 1 270 26 36 GLU CG C 35.358 0.400 1 271 26 36 GLU N N 119.695 0.400 1 272 27 37 TRP H H 7.752 0.020 1 273 27 37 TRP HA H 3.971 0.020 1 274 27 37 TRP HB2 H 3.312 0.020 2 275 27 37 TRP HB3 H 3.045 0.020 2 276 27 37 TRP HD1 H 7.613 0.020 1 277 27 37 TRP HE1 H 10.716 0.020 1 278 27 37 TRP HE3 H 7.252 0.020 1 279 27 37 TRP HZ2 H 7.332 0.020 1 280 27 37 TRP HZ3 H 7.049 0.020 1 281 27 37 TRP HH2 H 6.929 0.020 1 282 27 37 TRP C C 178.239 0.400 1 283 27 37 TRP CA C 62.019 0.400 1 284 27 37 TRP CB C 27.734 0.400 1 285 27 37 TRP CD1 C 126.115 0.400 1 286 27 37 TRP CE3 C 119.675 0.400 1 287 27 37 TRP CZ2 C 114.019 0.400 1 288 27 37 TRP CZ3 C 121.553 0.400 1 289 27 37 TRP CH2 C 123.765 0.400 1 290 27 37 TRP N N 119.945 0.400 1 291 27 37 TRP NE1 N 129.774 0.400 1 292 28 38 GLU H H 8.569 0.020 1 293 28 38 GLU HA H 4.127 0.020 1 294 28 38 GLU HB2 H 2.311 0.020 2 295 28 38 GLU HB3 H 2.186 0.020 2 296 28 38 GLU HG2 H 2.557 0.020 2 297 28 38 GLU HG3 H 2.160 0.020 2 298 28 38 GLU C C 177.537 0.400 1 299 28 38 GLU CA C 59.429 0.400 1 300 28 38 GLU CB C 30.171 0.400 1 301 28 38 GLU CG C 35.948 0.400 1 302 28 38 GLU N N 118.100 0.400 1 303 29 39 ARG H H 7.496 0.020 1 304 29 39 ARG HA H 4.084 0.020 1 305 29 39 ARG HB2 H 1.882 0.020 2 306 29 39 ARG HB3 H 1.782 0.020 2 307 29 39 ARG HG2 H 1.742 0.020 2 308 29 39 ARG HG3 H 1.498 0.020 2 309 29 39 ARG HD2 H 3.113 0.020 2 310 29 39 ARG HD3 H 3.111 0.020 2 311 29 39 ARG C C 179.146 0.400 1 312 29 39 ARG CA C 59.105 0.400 1 313 29 39 ARG CB C 29.734 0.400 1 314 29 39 ARG CG C 27.611 0.400 1 315 29 39 ARG CD C 42.824 0.400 1 316 29 39 ARG N N 117.278 0.400 1 317 30 40 TYR H H 7.643 0.020 1 318 30 40 TYR HA H 4.178 0.020 1 319 30 40 TYR HB2 H 2.894 0.020 2 320 30 40 TYR HB3 H 2.773 0.020 2 321 30 40 TYR HD1 H 6.748 0.020 1 322 30 40 TYR HD2 H 6.748 0.020 1 323 30 40 TYR HE1 H 6.212 0.020 1 324 30 40 TYR HE2 H 6.212 0.020 1 325 30 40 TYR C C 177.451 0.400 1 326 30 40 TYR CA C 62.049 0.400 1 327 30 40 TYR CB C 38.881 0.400 1 328 30 40 TYR CD1 C 132.288 0.400 1 329 30 40 TYR CD2 C 132.547 0.400 1 330 30 40 TYR CE1 C 117.954 0.400 1 331 30 40 TYR CE2 C 117.950 0.400 1 332 30 40 TYR N N 119.993 0.400 1 333 31 41 ILE H H 8.788 0.020 1 334 31 41 ILE HA H 3.568 0.020 1 335 31 41 ILE HB H 1.951 0.020 1 336 31 41 ILE HG12 H 0.894 0.020 2 337 31 41 ILE HG13 H 1.915 0.020 2 338 31 41 ILE HG2 H 0.883 0.020 1 339 31 41 ILE HD1 H 0.473 0.020 1 340 31 41 ILE C C 177.571 0.400 1 341 31 41 ILE CA C 66.069 0.400 1 342 31 41 ILE CB C 37.512 0.400 1 343 31 41 ILE CG1 C 30.243 0.400 1 344 31 41 ILE CG2 C 17.297 0.400 1 345 31 41 ILE CD1 C 13.448 0.400 1 346 31 41 ILE N N 120.654 0.400 1 347 32 42 GLN H H 8.457 0.020 1 348 32 42 GLN HA H 4.199 0.020 1 349 32 42 GLN HB2 H 2.256 0.020 2 350 32 42 GLN HB3 H 2.069 0.020 2 351 32 42 GLN HG2 H 2.461 0.020 2 352 32 42 GLN HG3 H 2.677 0.020 2 353 32 42 GLN HE21 H 7.556 0.020 2 354 32 42 GLN HE22 H 6.760 0.020 2 355 32 42 GLN C C 178.308 0.400 1 356 32 42 GLN CA C 58.683 0.400 1 357 32 42 GLN CB C 27.727 0.400 1 358 32 42 GLN CG C 33.800 0.400 1 359 32 42 GLN N N 118.100 0.400 1 360 32 42 GLN NE2 N 110.991 0.400 1 361 33 43 TRP H H 7.862 0.020 1 362 33 43 TRP HA H 4.209 0.020 1 363 33 43 TRP HB2 H 3.543 0.020 2 364 33 43 TRP HB3 H 3.231 0.020 2 365 33 43 TRP HD1 H 7.180 0.020 1 366 33 43 TRP HE1 H 10.098 0.020 1 367 33 43 TRP HE3 H 7.325 0.020 1 368 33 43 TRP HZ2 H 7.296 0.020 1 369 33 43 TRP HZ3 H 6.947 0.020 1 370 33 43 TRP HH2 H 7.133 0.020 1 371 33 43 TRP C C 179.301 0.400 1 372 33 43 TRP CA C 61.818 0.400 1 373 33 43 TRP CB C 27.779 0.400 1 374 33 43 TRP CD1 C 127.212 0.400 1 375 33 43 TRP CE3 C 120.119 0.400 1 376 33 43 TRP CZ2 C 114.080 0.400 1 377 33 43 TRP CZ3 C 121.215 0.400 1 378 33 43 TRP CH2 C 123.751 0.400 1 379 33 43 TRP N N 120.209 0.400 1 380 33 43 TRP NE1 N 130.287 0.400 1 381 34 44 VAL H H 8.600 0.020 1 382 34 44 VAL HA H 3.497 0.020 1 383 34 44 VAL HB H 2.314 0.020 1 384 34 44 VAL HG1 H 1.146 0.020 2 385 34 44 VAL HG2 H 1.021 0.020 2 386 34 44 VAL C C 177.794 0.400 1 387 34 44 VAL CA C 66.419 0.400 1 388 34 44 VAL CB C 31.304 0.400 1 389 34 44 VAL CG1 C 23.601 0.400 1 390 34 44 VAL CG2 C 22.280 0.400 1 391 34 44 VAL N N 120.466 0.400 1 392 35 45 GLU H H 8.569 0.020 1 393 35 45 GLU HA H 3.894 0.020 1 394 35 45 GLU HB2 H 2.007 0.020 2 395 35 45 GLU HB3 H 2.233 0.020 2 396 35 45 GLU HG2 H 2.125 0.020 2 397 35 45 GLU HG3 H 2.562 0.020 2 398 35 45 GLU C C 178.427 0.400 1 399 35 45 GLU CA C 59.727 0.400 1 400 35 45 GLU CB C 29.895 0.400 1 401 35 45 GLU CG C 37.881 0.400 1 402 35 45 GLU N N 120.209 0.400 1 403 36 46 GLU H H 7.799 0.020 1 404 36 46 GLU HA H 3.975 0.020 1 405 36 46 GLU HB2 H 1.965 0.020 2 406 36 46 GLU HB3 H 1.795 0.020 2 407 36 46 GLU HG2 H 2.063 0.020 2 408 36 46 GLU HG3 H 2.276 0.020 2 409 36 46 GLU C C 177.760 0.400 1 410 36 46 GLU CA C 57.773 0.400 1 411 36 46 GLU CB C 30.054 0.400 1 412 36 46 GLU CG C 36.054 0.400 1 413 36 46 GLU N N 115.066 0.400 1 414 37 47 ASN H H 7.671 0.020 1 415 37 47 ASN HA H 4.101 0.020 1 416 37 47 ASN HB2 H 1.276 0.020 2 417 37 47 ASN HB3 H 1.148 0.020 2 418 37 47 ASN HD21 H 6.655 0.020 2 419 37 47 ASN HD22 H 6.202 0.020 2 420 37 47 ASN C C 173.822 0.400 1 421 37 47 ASN CA C 54.869 0.400 1 422 37 47 ASN CB C 39.520 0.400 1 423 37 47 ASN N N 114.304 0.400 1 424 37 47 ASN ND2 N 115.827 0.400 1 425 38 48 PHE H H 7.943 0.020 1 426 38 48 PHE HA H 4.998 0.020 1 427 38 48 PHE HB2 H 3.019 0.020 2 428 38 48 PHE HB3 H 2.724 0.020 2 429 38 48 PHE HD1 H 6.852 0.020 1 430 38 48 PHE HD2 H 6.852 0.020 1 431 38 48 PHE HE1 H 7.013 0.020 1 432 38 48 PHE HE2 H 7.013 0.020 1 433 38 48 PHE HZ H 6.805 0.020 1 434 38 48 PHE CA C 54.959 0.400 1 435 38 48 PHE CB C 38.387 0.400 1 436 38 48 PHE CD1 C 131.905 0.400 1 437 38 48 PHE CD2 C 131.935 0.400 1 438 38 48 PHE CE1 C 130.472 0.400 1 439 38 48 PHE CE2 C 130.478 0.400 1 440 38 48 PHE CZ C 130.341 0.400 1 441 38 48 PHE N N 117.535 0.400 1 442 39 49 PRO HA H 4.397 0.020 1 443 39 49 PRO HB2 H 2.318 0.020 2 444 39 49 PRO HB3 H 1.963 0.020 2 445 39 49 PRO HG2 H 1.870 0.020 2 446 39 49 PRO HG3 H 1.942 0.020 2 447 39 49 PRO HD2 H 3.392 0.020 2 448 39 49 PRO HD3 H 3.085 0.020 2 449 39 49 PRO C C 178.273 0.400 1 450 39 49 PRO CA C 64.695 0.400 1 451 39 49 PRO CB C 31.372 0.400 1 452 39 49 PRO CG C 27.187 0.400 1 453 39 49 PRO CD C 50.220 0.400 1 454 40 50 GLU H H 8.734 0.020 1 455 40 50 GLU HA H 4.403 0.020 1 456 40 50 GLU HB2 H 2.254 0.020 2 457 40 50 GLU HB3 H 1.934 0.020 2 458 40 50 GLU HG2 H 2.272 0.020 2 459 40 50 GLU HG3 H 2.204 0.020 2 460 40 50 GLU C C 176.013 0.400 1 461 40 50 GLU CA C 55.873 0.400 1 462 40 50 GLU CB C 29.074 0.400 1 463 40 50 GLU CG C 35.860 0.400 1 464 40 50 GLU N N 115.784 0.400 1 465 41 51 ASN H H 7.543 0.020 1 466 41 51 ASN HA H 5.040 0.020 1 467 41 51 ASN HB2 H 2.840 0.020 2 468 41 51 ASN HB3 H 2.507 0.020 2 469 41 51 ASN HD21 H 7.793 0.020 2 470 41 51 ASN HD22 H 6.865 0.020 2 471 41 51 ASN C C 175.585 0.400 1 472 41 51 ASN CA C 52.341 0.400 1 473 41 51 ASN CB C 39.086 0.400 1 474 41 51 ASN N N 119.100 0.400 1 475 41 51 ASN ND2 N 112.037 0.400 1 476 42 52 LYS H H 8.688 0.020 1 477 42 52 LYS HA H 4.147 0.020 1 478 42 52 LYS HB2 H 1.885 0.020 2 479 42 52 LYS HB3 H 1.846 0.020 2 480 42 52 LYS HG2 H 1.532 0.020 2 481 42 52 LYS HG3 H 1.535 0.020 2 482 42 52 LYS HD2 H 1.748 0.020 2 483 42 52 LYS HD3 H 1.673 0.020 2 484 42 52 LYS HE2 H 3.062 0.020 1 485 42 52 LYS HE3 H 3.061 0.020 1 486 42 52 LYS C C 176.801 0.400 1 487 42 52 LYS CA C 57.819 0.400 1 488 42 52 LYS CB C 31.491 0.400 1 489 42 52 LYS CG C 24.616 0.400 1 490 42 52 LYS CD C 28.593 0.400 1 491 42 52 LYS CE C 42.076 0.400 1 492 42 52 LYS N N 123.714 0.400 1 493 43 53 GLU H H 9.326 0.020 1 494 43 53 GLU HA H 3.981 0.020 1 495 43 53 GLU HB2 H 1.935 0.020 1 496 43 53 GLU HB3 H 1.935 0.020 1 497 43 53 GLU HG2 H 2.128 0.020 2 498 43 53 GLU HG3 H 2.264 0.020 2 499 43 53 GLU C C 179.198 0.400 1 500 43 53 GLU CA C 59.323 0.400 1 501 43 53 GLU CB C 28.232 0.400 1 502 43 53 GLU CG C 35.860 0.400 1 503 43 53 GLU N N 118.589 0.400 1 504 44 54 TYR H H 7.489 0.020 1 505 44 54 TYR HA H 4.024 0.020 1 506 44 54 TYR HB2 H 2.684 0.020 2 507 44 54 TYR HB3 H 3.071 0.020 2 508 44 54 TYR HD1 H 6.782 0.020 1 509 44 54 TYR HD2 H 6.782 0.020 1 510 44 54 TYR HE1 H 6.257 0.020 1 511 44 54 TYR HE2 H 6.257 0.020 1 512 44 54 TYR C C 176.852 0.400 1 513 44 54 TYR CA C 60.648 0.400 1 514 44 54 TYR CB C 37.788 0.400 1 515 44 54 TYR CD1 C 131.437 0.400 1 516 44 54 TYR CD2 C 131.485 0.400 1 517 44 54 TYR CE1 C 117.954 0.400 1 518 44 54 TYR CE2 C 117.950 0.400 1 519 44 54 TYR N N 118.710 0.400 1 520 45 55 LEU H H 7.344 0.020 1 521 45 55 LEU HA H 4.017 0.020 1 522 45 55 LEU HB2 H 1.827 0.020 2 523 45 55 LEU HB3 H 1.633 0.020 2 524 45 55 LEU HG H 1.525 0.020 1 525 45 55 LEU HD1 H 0.967 0.020 2 526 45 55 LEU HD2 H 0.980 0.020 2 527 45 55 LEU C C 178.102 0.400 1 528 45 55 LEU CA C 57.618 0.400 1 529 45 55 LEU CB C 41.683 0.400 1 530 45 55 LEU CG C 26.898 0.400 1 531 45 55 LEU CD1 C 23.904 0.400 1 532 45 55 LEU CD2 C 25.677 0.400 1 533 45 55 LEU N N 119.496 0.400 1 534 46 56 ILE H H 8.464 0.020 1 535 46 56 ILE HA H 3.294 0.020 1 536 46 56 ILE HB H 1.592 0.020 1 537 46 56 ILE HG12 H 0.242 0.020 2 538 46 56 ILE HG13 H 1.212 0.020 2 539 46 56 ILE HG2 H 0.849 0.020 1 540 46 56 ILE HD1 H 0.568 0.020 1 541 46 56 ILE C C 177.417 0.400 1 542 46 56 ILE CA C 66.076 0.400 1 543 46 56 ILE CB C 37.760 0.400 1 544 46 56 ILE CG1 C 28.721 0.400 1 545 46 56 ILE CG2 C 17.092 0.400 1 546 46 56 ILE CD1 C 13.463 0.400 1 547 46 56 ILE N N 118.204 0.400 1 548 47 57 THR H H 7.582 0.020 1 549 47 57 THR HA H 4.161 0.020 1 550 47 57 THR HB H 4.175 0.020 1 551 47 57 THR HG2 H 1.160 0.020 1 552 47 57 THR C C 176.972 0.400 1 553 47 57 THR CA C 66.474 0.400 1 554 47 57 THR CB C 68.679 0.400 1 555 47 57 THR CG2 C 21.167 0.400 1 556 47 57 THR N N 114.209 0.400 1 557 48 58 LEU H H 7.686 0.020 1 558 48 58 LEU HA H 4.154 0.020 1 559 48 58 LEU HB2 H 2.031 0.020 2 560 48 58 LEU HB3 H 1.564 0.020 2 561 48 58 LEU HG H 1.905 0.020 1 562 48 58 LEU HD1 H 0.856 0.020 2 563 48 58 LEU HD2 H 0.961 0.020 2 564 48 58 LEU C C 178.445 0.400 1 565 48 58 LEU CA C 58.502 0.400 1 566 48 58 LEU CB C 41.812 0.400 1 567 48 58 LEU CG C 27.390 0.400 1 568 48 58 LEU CD1 C 23.804 0.400 1 569 48 58 LEU CD2 C 26.025 0.400 1 570 48 58 LEU N N 121.700 0.400 1 571 49 59 LEU H H 8.769 0.020 1 572 49 59 LEU HA H 3.869 0.020 1 573 49 59 LEU HB2 H 1.891 0.020 2 574 49 59 LEU HB3 H 1.029 0.020 2 575 49 59 LEU HG H 1.537 0.020 1 576 49 59 LEU HD1 H 0.950 0.020 2 577 49 59 LEU HD2 H 0.833 0.020 2 578 49 59 LEU C C 178.068 0.400 1 579 49 59 LEU CA C 57.612 0.400 1 580 49 59 LEU CB C 41.530 0.400 1 581 49 59 LEU CG C 27.085 0.400 1 582 49 59 LEU CD1 C 25.616 0.400 1 583 49 59 LEU CD2 C 22.444 0.400 1 584 49 59 LEU N N 118.666 0.400 1 585 50 60 GLU H H 8.450 0.020 1 586 50 60 GLU HA H 3.320 0.020 1 587 50 60 GLU HB2 H 2.207 0.020 2 588 50 60 GLU HB3 H 2.018 0.020 2 589 50 60 GLU HG2 H 1.996 0.020 2 590 50 60 GLU HG3 H 2.296 0.020 2 591 50 60 GLU C C 179.318 0.400 1 592 50 60 GLU CA C 59.333 0.400 1 593 50 60 GLU CB C 29.407 0.400 1 594 50 60 GLU CG C 36.342 0.400 1 595 50 60 GLU N N 119.078 0.400 1 596 51 61 HIS H H 7.789 0.020 1 597 51 61 HIS HA H 4.131 0.020 1 598 51 61 HIS HB2 H 3.261 0.020 2 599 51 61 HIS HB3 H 3.489 0.020 2 600 51 61 HIS C C 176.493 0.400 1 601 51 61 HIS CA C 60.769 0.400 1 602 51 61 HIS CB C 29.294 0.400 1 603 51 61 HIS N N 117.763 0.400 1 604 52 62 LEU H H 8.742 0.020 1 605 52 62 LEU HA H 2.914 0.020 1 606 52 62 LEU HB2 H 1.792 0.020 2 607 52 62 LEU HB3 H 1.524 0.020 2 608 52 62 LEU HG H 1.140 0.020 1 609 52 62 LEU HD1 H 0.160 0.020 2 610 52 62 LEU HD2 H 0.562 0.020 2 611 52 62 LEU C C 178.581 0.400 1 612 52 62 LEU CA C 58.333 0.400 1 613 52 62 LEU CB C 41.366 0.400 1 614 52 62 LEU CG C 26.491 0.400 1 615 52 62 LEU CD1 C 25.602 0.400 1 616 52 62 LEU CD2 C 26.273 0.400 1 617 52 62 LEU N N 125.006 0.400 1 618 53 63 MET H H 7.936 0.020 1 619 53 63 MET HA H 4.157 0.020 1 620 53 63 MET HB2 H 2.026 0.020 2 621 53 63 MET HB3 H 1.907 0.020 2 622 53 63 MET HG2 H 2.401 0.020 1 623 53 63 MET HG3 H 2.402 0.020 1 624 53 63 MET HE H 1.916 0.020 1 625 53 63 MET C C 177.708 0.400 1 626 53 63 MET CA C 57.997 0.400 1 627 53 63 MET CB C 31.832 0.400 1 628 53 63 MET CG C 31.716 0.400 1 629 53 63 MET CE C 17.855 0.400 1 630 53 63 MET N N 117.020 0.400 1 631 54 64 LYS H H 7.331 0.020 1 632 54 64 LYS HA H 3.867 0.020 1 633 54 64 LYS HB2 H 1.826 0.020 2 634 54 64 LYS HB3 H 1.782 0.020 2 635 54 64 LYS HG2 H 1.524 0.020 2 636 54 64 LYS HG3 H 1.348 0.020 2 637 54 64 LYS HD2 H 1.575 0.020 2 638 54 64 LYS HD3 H 1.526 0.020 2 639 54 64 LYS HE2 H 2.824 0.020 2 640 54 64 LYS HE3 H 2.820 0.020 2 641 54 64 LYS C C 178.787 0.400 1 642 54 64 LYS CA C 59.130 0.400 1 643 54 64 LYS CB C 32.313 0.400 1 644 54 64 LYS CG C 24.812 0.400 1 645 54 64 LYS CD C 28.815 0.400 1 646 54 64 LYS CE C 41.940 0.400 1 647 54 64 LYS N N 115.890 0.400 1 648 55 65 GLU H H 8.015 0.020 1 649 55 65 GLU HA H 3.958 0.020 1 650 55 65 GLU HB2 H 1.762 0.020 2 651 55 65 GLU HB3 H 1.247 0.020 2 652 55 65 GLU HG2 H 0.963 0.020 2 653 55 65 GLU HG3 H 1.799 0.020 2 654 55 65 GLU C C 177.280 0.400 1 655 55 65 GLU CA C 57.496 0.400 1 656 55 65 GLU CB C 28.880 0.400 1 657 55 65 GLU CG C 34.772 0.400 1 658 55 65 GLU N N 118.769 0.400 1 659 56 66 PHE H H 7.698 0.020 1 660 56 66 PHE HA H 4.323 0.020 1 661 56 66 PHE HB2 H 2.383 0.020 1 662 56 66 PHE HB3 H 2.383 0.020 1 663 56 66 PHE HD1 H 6.894 0.020 1 664 56 66 PHE HD2 H 6.894 0.020 1 665 56 66 PHE HE1 H 6.110 0.020 1 666 56 66 PHE HE2 H 6.110 0.020 1 667 56 66 PHE HZ H 6.531 0.020 1 668 56 66 PHE C C 176.818 0.400 1 669 56 66 PHE CA C 58.895 0.400 1 670 56 66 PHE CB C 39.554 0.400 1 671 56 66 PHE CD1 C 131.535 0.400 1 672 56 66 PHE CD2 C 131.566 0.400 1 673 56 66 PHE CE1 C 130.302 0.400 1 674 56 66 PHE CE2 C 130.418 0.400 1 675 56 66 PHE CZ C 127.755 0.400 1 676 56 66 PHE N N 112.397 0.400 1 677 57 67 LEU H H 7.899 0.020 1 678 57 67 LEU HA H 3.953 0.020 1 679 57 67 LEU HB2 H 2.023 0.020 2 680 57 67 LEU HB3 H 1.597 0.020 2 681 57 67 LEU HG H 1.700 0.020 1 682 57 67 LEU HD1 H 0.684 0.020 2 683 57 67 LEU HD2 H 0.752 0.020 2 684 57 67 LEU C C 177.674 0.400 1 685 57 67 LEU CA C 59.084 0.400 1 686 57 67 LEU CB C 41.920 0.400 1 687 57 67 LEU CG C 26.862 0.400 1 688 57 67 LEU CD1 C 23.741 0.400 1 689 57 67 LEU CD2 C 25.053 0.400 1 690 57 67 LEU N N 123.552 0.400 1 691 58 68 ASP H H 8.279 0.020 1 692 58 68 ASP HA H 4.934 0.020 1 693 58 68 ASP HB2 H 2.812 0.020 2 694 58 68 ASP HB3 H 2.686 0.020 2 695 58 68 ASP C C 176.202 0.400 1 696 58 68 ASP CA C 52.663 0.400 1 697 58 68 ASP CB C 40.457 0.400 1 698 58 68 ASP N N 112.823 0.400 1 699 59 69 LYS H H 7.512 0.020 1 700 59 69 LYS HA H 4.494 0.020 1 701 59 69 LYS HB2 H 2.253 0.020 2 702 59 69 LYS HB3 H 1.832 0.020 2 703 59 69 LYS HG2 H 1.448 0.020 1 704 59 69 LYS HG3 H 1.449 0.020 1 705 59 69 LYS HD2 H 1.402 0.020 2 706 59 69 LYS HD3 H 1.605 0.020 2 707 59 69 LYS HE2 H 2.933 0.020 2 708 59 69 LYS HE3 H 2.858 0.020 2 709 59 69 LYS C C 174.575 0.400 1 710 59 69 LYS CA C 53.871 0.400 1 711 59 69 LYS CB C 30.939 0.400 1 712 59 69 LYS CG C 24.714 0.400 1 713 59 69 LYS CD C 28.450 0.400 1 714 59 69 LYS CE C 41.820 0.400 1 715 59 69 LYS N N 120.826 0.400 1 716 60 70 LYS H H 7.558 0.020 1 717 60 70 LYS HA H 2.296 0.020 1 718 60 70 LYS HB2 H 1.618 0.020 2 719 60 70 LYS HB3 H 1.616 0.020 2 720 60 70 LYS HG2 H 1.398 0.020 2 721 60 70 LYS HG3 H 1.343 0.020 2 722 60 70 LYS HD2 H 1.676 0.020 1 723 60 70 LYS HD3 H 1.677 0.020 1 724 60 70 LYS HE2 H 3.020 0.020 1 725 60 70 LYS HE3 H 3.020 0.020 1 726 60 70 LYS CA C 58.136 0.400 1 727 60 70 LYS CB C 31.467 0.400 1 728 60 70 LYS CG C 24.648 0.400 1 729 60 70 LYS CD C 28.820 0.400 1 730 60 70 LYS CE C 41.820 0.400 1 731 60 70 LYS N N 122.483 0.400 1 732 61 71 LYS H H 8.472 0.020 1 733 61 71 LYS HA H 3.996 0.020 1 734 61 71 LYS HB2 H 1.297 0.020 2 735 61 71 LYS HB3 H 1.717 0.020 2 736 61 71 LYS HG2 H 0.721 0.020 2 737 61 71 LYS HG3 H 0.602 0.020 2 738 61 71 LYS HD2 H 1.446 0.020 1 739 61 71 LYS HD3 H 1.447 0.020 1 740 61 71 LYS HE2 H 2.802 0.020 1 741 61 71 LYS HE3 H 2.802 0.020 1 742 61 71 LYS C C 177.349 0.400 1 743 61 71 LYS CA C 58.113 0.400 1 744 61 71 LYS CB C 31.688 0.400 1 745 61 71 LYS CG C 23.633 0.400 1 746 61 71 LYS CD C 29.047 0.400 1 747 61 71 LYS CE C 41.820 0.400 1 748 62 72 TYR H H 7.992 0.020 1 749 62 72 TYR HA H 4.792 0.020 1 750 62 72 TYR HB2 H 3.093 0.020 2 751 62 72 TYR HB3 H 2.538 0.020 2 752 62 72 TYR HD1 H 7.173 0.020 1 753 62 72 TYR HD2 H 7.173 0.020 1 754 62 72 TYR HE1 H 6.879 0.020 1 755 62 72 TYR HE2 H 6.879 0.020 1 756 62 72 TYR C C 176.407 0.400 1 757 62 72 TYR CA C 58.564 0.400 1 758 62 72 TYR CB C 38.433 0.400 1 759 62 72 TYR CD1 C 132.954 0.400 1 760 62 72 TYR CD2 C 133.104 0.400 1 761 62 72 TYR CE1 C 118.324 0.400 1 762 62 72 TYR CE2 C 118.267 0.400 1 763 62 72 TYR N N 116.198 0.400 1 764 63 73 HIS H H 7.739 0.020 1 765 63 73 HIS HA H 4.508 0.020 1 766 63 73 HIS HB2 H 3.232 0.020 2 767 63 73 HIS HB3 H 3.556 0.020 2 768 63 73 HIS HD2 H 6.497 0.020 1 769 63 73 HIS C C 174.781 0.400 1 770 63 73 HIS CA C 58.531 0.400 1 771 63 73 HIS CB C 31.138 0.400 1 772 63 73 HIS CD2 C 116.152 0.400 1 773 63 73 HIS N N 119.335 0.400 1 774 64 74 ASN H H 8.624 0.020 1 775 64 74 ASN HA H 5.216 0.020 1 776 64 74 ASN HB2 H 2.995 0.020 2 777 64 74 ASN HB3 H 2.509 0.020 2 778 64 74 ASN HD21 H 7.904 0.020 2 779 64 74 ASN HD22 H 7.181 0.020 2 780 64 74 ASN C C 174.438 0.400 1 781 64 74 ASN CA C 52.427 0.400 1 782 64 74 ASN CB C 39.740 0.400 1 783 64 74 ASN N N 113.656 0.400 1 784 64 74 ASN ND2 N 115.594 0.400 1 785 65 75 ASP H H 7.770 0.020 1 786 65 75 ASP HA H 5.104 0.020 1 787 65 75 ASP HB2 H 2.815 0.020 2 788 65 75 ASP HB3 H 3.399 0.020 2 789 65 75 ASP CA C 51.546 0.400 1 790 65 75 ASP CB C 43.442 0.400 1 791 65 75 ASP N N 124.426 0.400 1 792 66 76 PRO HA H 4.304 0.020 1 793 66 76 PRO HB2 H 2.472 0.020 2 794 66 76 PRO HB3 H 2.090 0.020 2 795 66 76 PRO HG2 H 2.180 0.020 2 796 66 76 PRO HG3 H 2.182 0.020 2 797 66 76 PRO HD2 H 3.961 0.020 2 798 66 76 PRO HD3 H 4.224 0.020 2 799 66 76 PRO C C 179.181 0.400 1 800 66 76 PRO CA C 64.695 0.400 1 801 66 76 PRO CB C 32.040 0.400 1 802 66 76 PRO CG C 27.356 0.400 1 803 66 76 PRO CD C 51.180 0.400 1 804 67 77 ARG H H 8.874 0.020 1 805 67 77 ARG HA H 4.083 0.020 1 806 67 77 ARG HB2 H 1.952 0.020 2 807 67 77 ARG HB3 H 1.676 0.020 2 808 67 77 ARG HG2 H 1.852 0.020 2 809 67 77 ARG HG3 H 1.756 0.020 2 810 67 77 ARG HD2 H 3.424 0.020 2 811 67 77 ARG HD3 H 3.054 0.020 2 812 67 77 ARG C C 178.718 0.400 1 813 67 77 ARG CA C 57.889 0.400 1 814 67 77 ARG CB C 30.121 0.400 1 815 67 77 ARG CG C 25.001 0.400 1 816 67 77 ARG CD C 43.928 0.400 1 817 67 77 ARG N N 117.413 0.400 1 818 68 78 PHE H H 7.443 0.020 1 819 68 78 PHE HA H 4.356 0.020 1 820 68 78 PHE HB2 H 3.100 0.020 2 821 68 78 PHE HB3 H 3.586 0.020 2 822 68 78 PHE HD1 H 7.074 0.020 1 823 68 78 PHE HD2 H 7.074 0.020 1 824 68 78 PHE HE1 H 7.008 0.020 1 825 68 78 PHE HE2 H 7.008 0.020 1 826 68 78 PHE HZ H 6.951 0.020 1 827 68 78 PHE C C 177.691 0.400 1 828 68 78 PHE CA C 60.403 0.400 1 829 68 78 PHE CB C 39.049 0.400 1 830 68 78 PHE CD1 C 130.988 0.400 1 831 68 78 PHE CD2 C 131.370 0.400 1 832 68 78 PHE CE1 C 131.007 0.400 1 833 68 78 PHE CE2 C 130.640 0.400 1 834 68 78 PHE CZ C 128.988 0.400 1 835 68 78 PHE N N 117.895 0.400 1 836 69 79 ILE H H 8.408 0.020 1 837 69 79 ILE HA H 3.341 0.020 1 838 69 79 ILE HB H 1.898 0.020 1 839 69 79 ILE HG12 H 1.373 0.020 2 840 69 79 ILE HG13 H 1.596 0.020 2 841 69 79 ILE HG2 H 0.905 0.020 1 842 69 79 ILE HD1 H 0.910 0.020 1 843 69 79 ILE C C 177.520 0.400 1 844 69 79 ILE CA C 64.061 0.400 1 845 69 79 ILE CB C 36.510 0.400 1 846 69 79 ILE CG1 C 28.247 0.400 1 847 69 79 ILE CG2 C 17.092 0.400 1 848 69 79 ILE CD1 C 12.035 0.400 1 849 69 79 ILE N N 118.563 0.400 1 850 70 80 SER H H 7.937 0.020 1 851 70 80 SER HA H 4.048 0.020 1 852 70 80 SER HB2 H 3.835 0.020 2 853 70 80 SER HB3 H 3.756 0.020 2 854 70 80 SER C C 177.588 0.400 1 855 70 80 SER CA C 62.132 0.400 1 856 70 80 SER CB C 62.294 0.400 1 857 70 80 SER N N 113.938 0.400 1 858 71 81 TYR H H 7.503 0.020 1 859 71 81 TYR HA H 4.471 0.020 1 860 71 81 TYR HB2 H 2.781 0.020 2 861 71 81 TYR HB3 H 2.931 0.020 2 862 71 81 TYR HD1 H 6.927 0.020 1 863 71 81 TYR HD2 H 6.927 0.020 1 864 71 81 TYR HE1 H 6.695 0.020 1 865 71 81 TYR HE2 H 6.695 0.020 1 866 71 81 TYR C C 177.948 0.400 1 867 71 81 TYR CA C 61.628 0.400 1 868 71 81 TYR CB C 37.134 0.400 1 869 71 81 TYR CD1 C 132.006 0.400 1 870 71 81 TYR CD2 C 132.300 0.400 1 871 71 81 TYR CE1 C 117.629 0.400 1 872 71 81 TYR CE2 C 117.614 0.400 1 873 71 81 TYR N N 120.517 0.400 1 874 72 82 CYS H H 8.110 0.020 1 875 72 82 CYS HA H 4.192 0.020 1 876 72 82 CYS HB2 H 2.355 0.020 2 877 72 82 CYS HB3 H 3.125 0.020 2 878 72 82 CYS HG H 1.430 0.020 1 879 72 82 CYS C C 176.921 0.400 1 880 72 82 CYS CA C 64.408 0.400 1 881 72 82 CYS CB C 26.174 0.400 1 882 72 82 CYS N N 119.995 0.400 1 883 73 83 LEU H H 8.238 0.020 1 884 73 83 LEU HA H 4.080 0.020 1 885 73 83 LEU HB2 H 1.907 0.020 2 886 73 83 LEU HB3 H 1.582 0.020 2 887 73 83 LEU HG H 1.920 0.020 1 888 73 83 LEU HD1 H 0.867 0.020 2 889 73 83 LEU HD2 H 0.791 0.020 2 890 73 83 LEU C C 179.626 0.400 1 891 73 83 LEU CA C 57.578 0.400 1 892 73 83 LEU CB C 39.903 0.400 1 893 73 83 LEU CG C 27.046 0.400 1 894 73 83 LEU CD1 C 22.755 0.400 1 895 73 83 LEU CD2 C 24.999 0.400 1 896 73 83 LEU N N 117.689 0.400 1 897 74 84 LYS H H 8.023 0.020 1 898 74 84 LYS HA H 4.164 0.020 1 899 74 84 LYS HB2 H 2.091 0.020 2 900 74 84 LYS HB3 H 2.094 0.020 2 901 74 84 LYS HG2 H 1.550 0.020 2 902 74 84 LYS HG3 H 1.686 0.020 2 903 74 84 LYS HD2 H 1.729 0.020 2 904 74 84 LYS HD3 H 1.832 0.020 2 905 74 84 LYS HE2 H 2.993 0.020 2 906 74 84 LYS HE3 H 3.043 0.020 2 907 74 84 LYS C C 178.290 0.400 1 908 74 84 LYS CA C 58.605 0.400 1 909 74 84 LYS CB C 32.546 0.400 1 910 74 84 LYS CG C 24.898 0.400 1 911 74 84 LYS CD C 29.492 0.400 1 912 74 84 LYS CE C 41.521 0.400 1 913 74 84 LYS N N 121.289 0.400 1 914 75 85 PHE H H 8.406 0.020 1 915 75 85 PHE HA H 4.434 0.020 1 916 75 85 PHE HB2 H 3.239 0.020 1 917 75 85 PHE HB3 H 3.240 0.020 1 918 75 85 PHE HD1 H 7.081 0.020 1 919 75 85 PHE HD2 H 7.081 0.020 1 920 75 85 PHE HE1 H 7.204 0.020 1 921 75 85 PHE HE2 H 7.204 0.020 1 922 75 85 PHE HZ H 7.210 0.020 1 923 75 85 PHE C C 177.315 0.400 1 924 75 85 PHE CA C 58.178 0.400 1 925 75 85 PHE CB C 38.765 0.400 1 926 75 85 PHE CD1 C 131.831 0.400 1 927 75 85 PHE CD2 C 131.370 0.400 1 928 75 85 PHE CE1 C 130.643 0.400 1 929 75 85 PHE CE2 C 130.914 0.400 1 930 75 85 PHE CZ C 129.998 0.400 1 931 75 85 PHE N N 117.567 0.400 1 932 76 86 ALA H H 7.726 0.020 1 933 76 86 ALA HA H 2.800 0.020 1 934 76 86 ALA HB H 1.230 0.020 1 935 76 86 ALA C C 177.800 0.400 1 936 76 86 ALA CA C 54.740 0.400 1 937 76 86 ALA CB C 18.299 0.400 1 938 76 86 ALA N N 120.875 0.400 1 939 77 87 GLU H H 7.075 0.020 1 940 77 87 GLU HA H 3.762 0.020 1 941 77 87 GLU HB2 H 1.770 0.020 2 942 77 87 GLU HB3 H 1.592 0.020 2 943 77 87 GLU HG2 H 1.924 0.020 2 944 77 87 GLU HG3 H 2.006 0.020 2 945 77 87 GLU C C 176.715 0.400 1 946 77 87 GLU CA C 57.983 0.400 1 947 77 87 GLU CB C 29.025 0.400 1 948 77 87 GLU CG C 35.462 0.400 1 949 77 87 GLU N N 111.966 0.400 1 950 78 88 TYR H H 7.262 0.020 1 951 78 88 TYR HA H 4.414 0.020 1 952 78 88 TYR HB2 H 2.345 0.020 2 953 78 88 TYR HB3 H 3.210 0.020 2 954 78 88 TYR HD1 H 7.077 0.020 1 955 78 88 TYR HD2 H 7.077 0.020 1 956 78 88 TYR HE1 H 6.670 0.020 1 957 78 88 TYR HE2 H 6.670 0.020 1 958 78 88 TYR C C 174.883 0.400 1 959 78 88 TYR CA C 57.074 0.400 1 960 78 88 TYR CB C 37.807 0.400 1 961 78 88 TYR CD1 C 132.646 0.400 1 962 78 88 TYR CD2 C 132.747 0.400 1 963 78 88 TYR CE1 C 117.757 0.400 1 964 78 88 TYR CE2 C 117.950 0.400 1 965 78 88 TYR N N 116.301 0.400 1 966 79 89 ASN H H 7.305 0.020 1 967 79 89 ASN HA H 4.414 0.020 1 968 79 89 ASN HB2 H 1.884 0.020 2 969 79 89 ASN HB3 H 2.054 0.020 2 970 79 89 ASN HD21 H 4.518 0.020 2 971 79 89 ASN HD22 H 5.681 0.020 2 972 79 89 ASN CA C 52.596 0.400 1 973 79 89 ASN CB C 40.506 0.400 1 974 79 89 ASN N N 119.283 0.400 1 975 79 89 ASN ND2 N 110.644 0.400 1 976 80 90 SER H H 8.389 0.020 1 977 80 90 SER HA H 4.190 0.020 1 978 80 90 SER HB2 H 3.861 0.020 2 979 80 90 SER HB3 H 3.803 0.020 2 980 80 90 SER C C 174.216 0.400 1 981 80 90 SER CA C 59.726 0.400 1 982 80 90 SER CB C 63.197 0.400 1 983 81 91 ASP H H 8.178 0.020 1 984 81 91 ASP HA H 4.809 0.020 1 985 81 91 ASP HB2 H 2.813 0.020 2 986 81 91 ASP HB3 H 2.464 0.020 2 987 81 91 ASP C C 176.065 0.400 1 988 81 91 ASP CA C 52.762 0.400 1 989 81 91 ASP CB C 40.640 0.400 1 990 81 91 ASP N N 120.826 0.400 1 991 82 92 LEU H H 8.157 0.020 1 992 82 92 LEU HA H 3.666 0.020 1 993 82 92 LEU HB2 H 1.080 0.020 2 994 82 92 LEU HB3 H 0.768 0.020 2 995 82 92 LEU HG H 1.229 0.020 1 996 82 92 LEU HD1 H 0.580 0.020 2 997 82 92 LEU HD2 H 0.494 0.020 2 998 82 92 LEU C C 177.708 0.400 1 999 82 92 LEU CA C 58.173 0.400 1 1000 82 92 LEU CB C 40.212 0.400 1 1001 82 92 LEU CG C 28.073 0.400 1 1002 82 92 LEU CD1 C 24.641 0.400 1 1003 82 92 LEU CD2 C 23.753 0.400 1 1004 82 92 LEU N N 124.426 0.400 1 1005 83 93 HIS H H 8.160 0.020 1 1006 83 93 HIS HA H 4.523 0.020 1 1007 83 93 HIS HB2 H 3.301 0.020 2 1008 83 93 HIS HB3 H 3.379 0.020 2 1009 83 93 HIS HD2 H 7.132 0.020 1 1010 83 93 HIS C C 176.544 0.400 1 1011 83 93 HIS CA C 60.026 0.400 1 1012 83 93 HIS CB C 30.883 0.400 1 1013 83 93 HIS CD2 C 118.616 0.400 1 1014 83 93 HIS N N 118.255 0.400 1 1015 84 94 GLN H H 7.797 0.020 1 1016 84 94 GLN HA H 3.929 0.020 1 1017 84 94 GLN HB2 H 1.964 0.020 2 1018 84 94 GLN HB3 H 2.081 0.020 2 1019 84 94 GLN HG2 H 2.427 0.020 2 1020 84 94 GLN HG3 H 2.313 0.020 2 1021 84 94 GLN HE21 H 7.613 0.020 2 1022 84 94 GLN HE22 H 6.847 0.020 2 1023 84 94 GLN C C 178.119 0.400 1 1024 84 94 GLN CA C 58.189 0.400 1 1025 84 94 GLN CB C 28.121 0.400 1 1026 84 94 GLN CG C 34.201 0.400 1 1027 84 94 GLN N N 116.356 0.400 1 1028 84 94 GLN NE2 N 111.828 0.400 1 1029 85 95 PHE H H 7.754 0.020 1 1030 85 95 PHE HA H 4.148 0.020 1 1031 85 95 PHE HB2 H 2.815 0.020 2 1032 85 95 PHE HB3 H 2.461 0.020 2 1033 85 95 PHE HD1 H 6.470 0.020 1 1034 85 95 PHE HD2 H 6.470 0.020 1 1035 85 95 PHE HE1 H 7.025 0.020 1 1036 85 95 PHE HE2 H 7.025 0.020 1 1037 85 95 PHE HZ H 7.263 0.020 1 1038 85 95 PHE C C 176.150 0.400 1 1039 85 95 PHE CA C 60.983 0.400 1 1040 85 95 PHE CB C 39.147 0.400 1 1041 85 95 PHE CD1 C 130.784 0.400 1 1042 85 95 PHE CD2 C 131.056 0.400 1 1043 85 95 PHE CE1 C 130.820 0.400 1 1044 85 95 PHE CE2 C 130.640 0.400 1 1045 85 95 PHE CZ C 129.462 0.400 1 1046 85 95 PHE N N 120.905 0.400 1 1047 86 96 PHE H H 8.016 0.020 1 1048 86 96 PHE HA H 3.445 0.020 1 1049 86 96 PHE HB2 H 1.076 0.020 2 1050 86 96 PHE HB3 H 1.415 0.020 2 1051 86 96 PHE HD1 H 6.861 0.020 1 1052 86 96 PHE HD2 H 6.861 0.020 1 1053 86 96 PHE HE1 H 7.029 0.020 1 1054 86 96 PHE HE2 H 7.029 0.020 1 1055 86 96 PHE HZ H 7.182 0.020 1 1056 86 96 PHE C C 176.921 0.400 1 1057 86 96 PHE CA C 61.382 0.400 1 1058 86 96 PHE CB C 35.702 0.400 1 1059 86 96 PHE CD1 C 130.982 0.400 1 1060 86 96 PHE CD2 C 130.939 0.400 1 1061 86 96 PHE CE1 C 130.100 0.400 1 1062 86 96 PHE CE2 C 130.640 0.400 1 1063 86 96 PHE CZ C 128.994 0.400 1 1064 86 96 PHE N N 117.689 0.400 1 1065 87 97 GLU H H 7.815 0.020 1 1066 87 97 GLU HA H 3.632 0.020 1 1067 87 97 GLU HB2 H 1.910 0.020 1 1068 87 97 GLU HB3 H 1.910 0.020 1 1069 87 97 GLU HG2 H 2.309 0.020 1 1070 87 97 GLU HG3 H 2.308 0.020 1 1071 87 97 GLU C C 177.794 0.400 1 1072 87 97 GLU CA C 59.590 0.400 1 1073 87 97 GLU CB C 29.197 0.400 1 1074 87 97 GLU CG C 36.856 0.400 1 1075 87 97 GLU N N 117.740 0.400 1 1076 88 98 PHE H H 7.791 0.020 1 1077 88 98 PHE HA H 4.278 0.020 1 1078 88 98 PHE HB2 H 3.133 0.020 2 1079 88 98 PHE HB3 H 3.338 0.020 2 1080 88 98 PHE HD1 H 7.008 0.020 1 1081 88 98 PHE HD2 H 7.008 0.020 1 1082 88 98 PHE HE1 H 6.983 0.020 1 1083 88 98 PHE HE2 H 6.983 0.020 1 1084 88 98 PHE HZ H 6.950 0.020 1 1085 88 98 PHE C C 178.308 0.400 1 1086 88 98 PHE CA C 61.011 0.400 1 1087 88 98 PHE CB C 37.877 0.400 1 1088 88 98 PHE CD1 C 131.745 0.400 1 1089 88 98 PHE CD2 C 132.128 0.400 1 1090 88 98 PHE CE1 C 130.680 0.400 1 1091 88 98 PHE CE2 C 130.782 0.400 1 1092 88 98 PHE CZ C 129.197 0.400 1 1093 88 98 PHE N N 120.826 0.400 1 1094 89 99 LEU H H 7.824 0.020 1 1095 89 99 LEU HA H 3.430 0.020 1 1096 89 99 LEU HB2 H 1.219 0.020 2 1097 89 99 LEU HB3 H 1.732 0.020 2 1098 89 99 LEU HG H 1.123 0.020 1 1099 89 99 LEU HD1 H 0.344 0.020 2 1100 89 99 LEU HD2 H 0.464 0.020 2 1101 89 99 LEU C C 178.496 0.400 1 1102 89 99 LEU CA C 58.042 0.400 1 1103 89 99 LEU CB C 40.125 0.400 1 1104 89 99 LEU CG C 24.870 0.400 1 1105 89 99 LEU CD1 C 26.108 0.400 1 1106 89 99 LEU CD2 C 21.796 0.400 1 1107 89 99 LEU N N 120.517 0.400 1 1108 90 100 TYR H H 8.433 0.020 1 1109 90 100 TYR HA H 3.751 0.020 1 1110 90 100 TYR HB2 H 3.044 0.020 2 1111 90 100 TYR HB3 H 2.976 0.020 2 1112 90 100 TYR HD1 H 7.131 0.020 1 1113 90 100 TYR HD2 H 7.131 0.020 1 1114 90 100 TYR HE1 H 7.090 0.020 1 1115 90 100 TYR HE2 H 7.090 0.020 1 1116 90 100 TYR C C 179.848 0.400 1 1117 90 100 TYR CA C 61.706 0.400 1 1118 90 100 TYR CB C 39.362 0.400 1 1119 90 100 TYR CD1 C 133.349 0.400 1 1120 90 100 TYR CD2 C 133.468 0.400 1 1121 90 100 TYR CE1 C 118.090 0.400 1 1122 90 100 TYR CE2 C 117.950 0.400 1 1123 90 100 TYR N N 120.517 0.400 1 1124 91 101 ASN H H 9.062 0.020 1 1125 91 101 ASN HA H 4.300 0.020 1 1126 91 101 ASN HB2 H 2.887 0.020 2 1127 91 101 ASN HB3 H 2.623 0.020 2 1128 91 101 ASN HD21 H 7.632 0.020 2 1129 91 101 ASN HD22 H 7.051 0.020 2 1130 91 101 ASN C C 176.750 0.400 1 1131 91 101 ASN CA C 54.732 0.400 1 1132 91 101 ASN CB C 37.454 0.400 1 1133 91 101 ASN N N 118.143 0.400 1 1134 91 101 ASN ND2 N 111.883 0.400 1 1135 92 102 HIS H H 7.594 0.020 1 1136 92 102 HIS HA H 4.252 0.020 1 1137 92 102 HIS HB2 H 3.111 0.020 2 1138 92 102 HIS HB3 H 2.465 0.020 2 1139 92 102 HIS HD2 H 6.676 0.020 1 1140 92 102 HIS HE1 H 7.841 0.020 1 1141 92 102 HIS C C 174.027 0.400 1 1142 92 102 HIS CA C 57.377 0.400 1 1143 92 102 HIS CB C 29.053 0.400 1 1144 92 102 HIS CD2 C 121.195 0.400 1 1145 92 102 HIS CE1 C 138.320 0.400 1 1146 92 102 HIS N N 117.226 0.400 1 1147 93 103 GLY H H 7.685 0.020 1 1148 93 103 GLY HA2 H 3.403 0.020 2 1149 93 103 GLY HA3 H 4.088 0.020 2 1150 93 103 GLY C C 173.770 0.400 1 1151 93 103 GLY CA C 45.414 0.400 1 1152 93 103 GLY N N 107.064 0.400 1 1153 94 104 ILE H H 8.008 0.020 1 1154 94 104 ILE HA H 3.932 0.020 1 1155 94 104 ILE HB H 1.496 0.020 1 1156 94 104 ILE HG12 H 1.009 0.020 2 1157 94 104 ILE HG13 H 0.322 0.020 2 1158 94 104 ILE HG2 H 0.788 0.020 1 1159 94 104 ILE HD1 H 0.636 0.020 1 1160 94 104 ILE C C 174.661 0.400 1 1161 94 104 ILE CA C 61.310 0.400 1 1162 94 104 ILE CB C 37.188 0.400 1 1163 94 104 ILE CG1 C 27.206 0.400 1 1164 94 104 ILE CG2 C 17.898 0.400 1 1165 94 104 ILE CD1 C 13.835 0.400 1 1166 94 104 ILE N N 123.009 0.400 1 1167 95 105 GLY H H 8.362 0.020 1 1168 95 105 GLY HA2 H 3.898 0.020 1 1169 95 105 GLY HA3 H 3.898 0.020 1 1170 95 105 GLY C C 175.688 0.400 1 1171 95 105 GLY CA C 46.702 0.400 1 1172 95 105 GLY N N 109.970 0.400 1 1173 96 106 THR H H 7.391 0.020 1 1174 96 106 THR HA H 4.097 0.020 1 1175 96 106 THR HB H 4.227 0.020 1 1176 96 106 THR HG2 H 0.931 0.020 1 1177 96 106 THR C C 177.229 0.400 1 1178 96 106 THR CA C 63.726 0.400 1 1179 96 106 THR CB C 68.285 0.400 1 1180 96 106 THR CG2 C 22.793 0.400 1 1181 96 106 THR N N 106.640 0.400 1 1182 97 107 LEU H H 8.691 0.020 1 1183 97 107 LEU HA H 4.794 0.020 1 1184 97 107 LEU HB2 H 1.981 0.020 2 1185 97 107 LEU HB3 H 1.597 0.020 2 1186 97 107 LEU HG H 1.607 0.020 1 1187 97 107 LEU HD1 H 0.934 0.020 2 1188 97 107 LEU HD2 H 0.897 0.020 2 1189 97 107 LEU C C 177.263 0.400 1 1190 97 107 LEU CA C 53.700 0.400 1 1191 97 107 LEU CB C 41.297 0.400 1 1192 97 107 LEU CG C 26.823 0.400 1 1193 97 107 LEU CD1 C 25.265 0.400 1 1194 97 107 LEU CD2 C 22.634 0.400 1 1195 97 107 LEU N N 119.869 0.400 1 1196 98 108 SER H H 8.206 0.020 1 1197 98 108 SER HA H 5.314 0.020 1 1198 98 108 SER HB2 H 4.047 0.020 2 1199 98 108 SER HB3 H 4.218 0.020 2 1200 98 108 SER HG H 5.905 0.020 1 1201 98 108 SER C C 173.685 0.400 1 1202 98 108 SER CA C 56.536 0.400 1 1203 98 108 SER CB C 63.783 0.400 1 1204 98 108 SER N N 118.820 0.400 1 1205 99 109 SER H H 8.954 0.020 1 1206 99 109 SER HA H 4.404 0.020 1 1207 99 109 SER HB2 H 4.054 0.020 2 1208 99 109 SER HB3 H 3.775 0.020 2 1209 99 109 SER CA C 63.994 0.400 1 1210 99 109 SER CB C 61.625 0.400 1 1211 99 109 SER N N 122.956 0.400 1 1212 100 110 PRO HA H 4.197 0.020 1 1213 100 110 PRO HB2 H 1.586 0.020 2 1214 100 110 PRO HB3 H 2.379 0.020 2 1215 100 110 PRO HG2 H 1.980 0.020 2 1216 100 110 PRO HG3 H 2.175 0.020 2 1217 100 110 PRO HD2 H 4.058 0.020 2 1218 100 110 PRO HD3 H 3.976 0.020 2 1219 100 110 PRO C C 178.376 0.400 1 1220 100 110 PRO CA C 66.518 0.400 1 1221 100 110 PRO CB C 31.747 0.400 1 1222 100 110 PRO CG C 28.027 0.400 1 1223 100 110 PRO CD C 51.200 0.400 1 1224 101 111 LEU H H 7.909 0.020 1 1225 101 111 LEU HA H 3.960 0.020 1 1226 101 111 LEU HB2 H 1.982 0.020 2 1227 101 111 LEU HB3 H 1.442 0.020 2 1228 101 111 LEU HG H 1.391 0.020 1 1229 101 111 LEU HD1 H 0.813 0.020 2 1230 101 111 LEU HD2 H 0.642 0.020 2 1231 101 111 LEU C C 176.970 0.400 1 1232 101 111 LEU CA C 59.239 0.400 1 1233 101 111 LEU CB C 41.625 0.400 1 1234 101 111 LEU CG C 27.254 0.400 1 1235 101 111 LEU CD1 C 24.957 0.400 1 1236 101 111 LEU CD2 C 24.388 0.400 1 1237 101 111 LEU N N 117.998 0.400 1 1238 102 112 TYR H H 7.086 0.020 1 1239 102 112 TYR HA H 3.926 0.020 1 1240 102 112 TYR HB2 H 2.867 0.020 2 1241 102 112 TYR HB3 H 2.852 0.020 2 1242 102 112 TYR HD1 H 7.274 0.020 1 1243 102 112 TYR HD2 H 7.274 0.020 1 1244 102 112 TYR HE1 H 6.733 0.020 1 1245 102 112 TYR HE2 H 6.733 0.020 1 1246 102 112 TYR C C 177.469 0.400 1 1247 102 112 TYR CA C 61.781 0.400 1 1248 102 112 TYR CB C 38.043 0.400 1 1249 102 112 TYR CD1 C 133.417 0.400 1 1250 102 112 TYR CD2 C 133.342 0.400 1 1251 102 112 TYR CE1 C 117.794 0.400 1 1252 102 112 TYR CE2 C 117.950 0.400 1 1253 102 112 TYR N N 115.426 0.400 1 1254 103 113 ILE H H 8.142 0.020 1 1255 103 113 ILE HA H 3.595 0.020 1 1256 103 113 ILE HB H 1.805 0.020 1 1257 103 113 ILE HG12 H 1.558 0.020 2 1258 103 113 ILE HG13 H 1.049 0.020 2 1259 103 113 ILE HG2 H 0.902 0.020 1 1260 103 113 ILE HD1 H 0.564 0.020 1 1261 103 113 ILE C C 178.855 0.400 1 1262 103 113 ILE CA C 63.861 0.400 1 1263 103 113 ILE CB C 37.390 0.400 1 1264 103 113 ILE CG1 C 28.585 0.400 1 1265 103 113 ILE CG2 C 16.500 0.400 1 1266 103 113 ILE CD1 C 12.267 0.400 1 1267 103 113 ILE N N 117.568 0.400 1 1268 104 114 ALA H H 8.015 0.020 1 1269 104 114 ALA HA H 4.165 0.020 1 1270 104 114 ALA HB H 1.507 0.020 1 1271 104 114 ALA C C 179.523 0.400 1 1272 104 114 ALA CA C 54.607 0.400 1 1273 104 114 ALA CB C 18.719 0.400 1 1274 104 114 ALA N N 123.912 0.400 1 1275 105 115 TRP H H 8.058 0.020 1 1276 105 115 TRP HA H 3.792 0.020 1 1277 105 115 TRP HB2 H 2.472 0.020 2 1278 105 115 TRP HB3 H 3.166 0.020 2 1279 105 115 TRP HD1 H 7.107 0.020 1 1280 105 115 TRP HE1 H 11.920 0.020 1 1281 105 115 TRP HZ2 H 7.304 0.020 1 1282 105 115 TRP HZ3 H 6.431 0.020 1 1283 105 115 TRP HH2 H 6.621 0.020 1 1284 105 115 TRP C C 178.136 0.400 1 1285 105 115 TRP CA C 57.598 0.400 1 1286 105 115 TRP CB C 30.766 0.400 1 1287 105 115 TRP CD1 C 122.851 0.400 1 1288 105 115 TRP CZ2 C 114.014 0.400 1 1289 105 115 TRP CZ3 C 119.694 0.400 1 1290 105 115 TRP CH2 C 122.961 0.400 1 1291 105 115 TRP N N 122.266 0.400 1 1292 106 116 ALA H H 8.832 0.020 1 1293 106 116 ALA HA H 3.797 0.020 1 1294 106 116 ALA HB H 1.316 0.020 1 1295 106 116 ALA C C 179.643 0.400 1 1296 106 116 ALA CA C 55.082 0.400 1 1297 106 116 ALA CB C 18.297 0.400 1 1298 106 116 ALA N N 119.747 0.400 1 1299 107 117 GLY H H 8.367 0.020 1 1300 107 117 GLY HA2 H 3.941 0.020 2 1301 107 117 GLY HA3 H 4.016 0.020 2 1302 107 117 GLY C C 176.767 0.400 1 1303 107 117 GLY CA C 46.895 0.400 1 1304 107 117 GLY N N 106.428 0.400 1 1305 108 118 HIS H H 8.042 0.020 1 1306 108 118 HIS HA H 4.559 0.020 1 1307 108 118 HIS HB2 H 3.522 0.020 2 1308 108 118 HIS HB3 H 3.367 0.020 2 1309 108 118 HIS HD2 H 6.823 0.020 1 1310 108 118 HIS HE1 H 7.898 0.020 1 1311 108 118 HIS C C 177.280 0.400 1 1312 108 118 HIS CA C 59.629 0.400 1 1313 108 118 HIS CB C 29.929 0.400 1 1314 108 118 HIS CE1 C 139.299 0.400 1 1315 108 118 HIS N N 123.294 0.400 1 1316 109 119 LEU H H 7.935 0.020 1 1317 109 119 LEU HA H 3.843 0.020 1 1318 109 119 LEU HB2 H 1.783 0.020 2 1319 109 119 LEU HB3 H 1.530 0.020 2 1320 109 119 LEU HG H 1.912 0.020 1 1321 109 119 LEU HD1 H 0.337 0.020 2 1322 109 119 LEU HD2 H 0.814 0.020 2 1323 109 119 LEU C C 179.249 0.400 1 1324 109 119 LEU CA C 57.773 0.400 1 1325 109 119 LEU CB C 41.306 0.400 1 1326 109 119 LEU CG C 26.745 0.400 1 1327 109 119 LEU CD1 C 25.755 0.400 1 1328 109 119 LEU CD2 C 21.786 0.400 1 1329 109 119 LEU N N 119.112 0.400 1 1330 110 120 GLU H H 9.127 0.020 1 1331 110 120 GLU HA H 3.583 0.020 1 1332 110 120 GLU HB2 H 1.902 0.020 2 1333 110 120 GLU HB3 H 2.274 0.020 2 1334 110 120 GLU HG2 H 2.144 0.020 2 1335 110 120 GLU HG3 H 2.139 0.020 2 1336 110 120 GLU C C 179.677 0.400 1 1337 110 120 GLU CA C 59.844 0.400 1 1338 110 120 GLU CB C 29.006 0.400 1 1339 110 120 GLU CG C 35.288 0.400 1 1340 110 120 GLU N N 121.649 0.400 1 1341 111 121 ALA H H 7.961 0.020 1 1342 111 121 ALA HA H 4.169 0.020 1 1343 111 121 ALA HB H 1.592 0.020 1 1344 111 121 ALA C C 179.164 0.400 1 1345 111 121 ALA CA C 54.447 0.400 1 1346 111 121 ALA CB C 17.496 0.400 1 1347 111 121 ALA N N 123.449 0.400 1 1348 112 122 GLN H H 7.440 0.020 1 1349 112 122 GLN HA H 4.365 0.020 1 1350 112 122 GLN HB2 H 2.441 0.020 2 1351 112 122 GLN HB3 H 2.016 0.020 2 1352 112 122 GLN HG2 H 2.299 0.020 2 1353 112 122 GLN HG3 H 2.244 0.020 2 1354 112 122 GLN HE21 H 7.183 0.020 2 1355 112 122 GLN HE22 H 6.913 0.020 2 1356 112 122 GLN C C 176.048 0.400 1 1357 112 122 GLN CA C 54.778 0.400 1 1358 112 122 GLN CB C 28.849 0.400 1 1359 112 122 GLN CG C 33.307 0.400 1 1360 112 122 GLN N N 114.192 0.400 1 1361 112 122 GLN NE2 N 112.473 0.400 1 1362 113 123 GLY H H 8.061 0.020 1 1363 113 123 GLY HA2 H 3.701 0.020 2 1364 113 123 GLY HA3 H 4.292 0.020 2 1365 113 123 GLY C C 174.815 0.400 1 1366 113 123 GLY CA C 45.006 0.400 1 1367 113 123 GLY N N 107.336 0.400 1 1368 114 124 GLU H H 8.118 0.020 1 1369 114 124 GLU HA H 4.679 0.020 1 1370 114 124 GLU HB2 H 2.150 0.020 2 1371 114 124 GLU HB3 H 1.873 0.020 2 1372 114 124 GLU HG2 H 2.061 0.020 2 1373 114 124 GLU HG3 H 2.274 0.020 2 1374 114 124 GLU C C 176.510 0.400 1 1375 114 124 GLU CA C 53.620 0.400 1 1376 114 124 GLU CB C 27.530 0.400 1 1377 114 124 GLU CG C 34.128 0.400 1 1378 114 124 GLU N N 123.243 0.400 1 1379 115 125 LEU H H 7.625 0.020 1 1380 115 125 LEU HA H 3.862 0.020 1 1381 115 125 LEU HB2 H 1.846 0.020 2 1382 115 125 LEU HB3 H 1.534 0.020 2 1383 115 125 LEU HG H 1.654 0.020 1 1384 115 125 LEU HD1 H 0.889 0.020 2 1385 115 125 LEU HD2 H 0.871 0.020 2 1386 115 125 LEU C C 179.112 0.400 1 1387 115 125 LEU CA C 58.280 0.400 1 1388 115 125 LEU CB C 41.269 0.400 1 1389 115 125 LEU CG C 27.566 0.400 1 1390 115 125 LEU CD1 C 24.742 0.400 1 1391 115 125 LEU CD2 C 23.419 0.400 1 1392 115 125 LEU N N 120.533 0.400 1 1393 116 126 GLN H H 8.564 0.020 1 1394 116 126 GLN HA H 4.095 0.020 1 1395 116 126 GLN HB2 H 2.044 0.020 1 1396 116 126 GLN HB3 H 2.045 0.020 1 1397 116 126 GLN HG2 H 2.404 0.020 1 1398 116 126 GLN HG3 H 2.404 0.020 1 1399 116 126 GLN HE21 H 6.906 0.020 2 1400 116 126 GLN HE22 H 7.566 0.020 2 1401 116 126 GLN CA C 58.880 0.400 1 1402 116 126 GLN CB C 27.038 0.400 1 1403 116 126 GLN CG C 33.760 0.400 1 1404 116 126 GLN N N 118.929 0.400 1 1405 116 126 GLN NE2 N 112.303 0.400 1 1406 117 127 HIS HA H 4.505 0.020 1 1407 117 127 HIS HB2 H 3.073 0.020 1 1408 117 127 HIS HB3 H 3.074 0.020 1 1409 117 127 HIS HD2 H 6.895 0.020 1 1410 117 127 HIS HE1 H 7.888 0.020 1 1411 117 127 HIS C C 177.315 0.400 1 1412 117 127 HIS CA C 57.275 0.400 1 1413 117 127 HIS CB C 30.467 0.400 1 1414 117 127 HIS CD2 C 119.860 0.400 1 1415 117 127 HIS CE1 C 138.295 0.400 1 1416 118 128 ALA H H 8.386 0.020 1 1417 118 128 ALA HA H 3.623 0.020 1 1418 118 128 ALA HB H 1.406 0.020 1 1419 118 128 ALA C C 178.359 0.400 1 1420 118 128 ALA CA C 55.449 0.400 1 1421 118 128 ALA CB C 18.352 0.400 1 1422 118 128 ALA N N 121.546 0.400 1 1423 119 129 SER H H 7.882 0.020 1 1424 119 129 SER HA H 3.774 0.020 1 1425 119 129 SER HB2 H 4.107 0.020 2 1426 119 129 SER HB3 H 4.129 0.020 2 1427 119 129 SER C C 176.082 0.400 1 1428 119 129 SER CA C 61.390 0.400 1 1429 119 129 SER CB C 63.092 0.400 1 1430 119 129 SER N N 110.726 0.400 1 1431 120 130 ALA H H 7.738 0.020 1 1432 120 130 ALA HA H 4.018 0.020 1 1433 120 130 ALA HB H 1.488 0.020 1 1434 120 130 ALA C C 180.859 0.400 1 1435 120 130 ALA CA C 54.646 0.400 1 1436 120 130 ALA CB C 17.833 0.400 1 1437 120 130 ALA N N 121.867 0.400 1 1438 121 131 VAL H H 7.881 0.020 1 1439 121 131 VAL HA H 3.053 0.020 1 1440 121 131 VAL HB H 1.631 0.020 1 1441 121 131 VAL HG1 H 0.409 0.020 2 1442 121 131 VAL HG2 H -0.356 0.020 2 1443 121 131 VAL C C 177.640 0.400 1 1444 121 131 VAL CA C 67.045 0.400 1 1445 121 131 VAL CB C 30.736 0.400 1 1446 121 131 VAL CG1 C 21.733 0.400 1 1447 121 131 VAL CG2 C 21.309 0.400 1 1448 121 131 VAL N N 120.517 0.400 1 1449 122 132 LEU H H 7.541 0.020 1 1450 122 132 LEU HA H 3.707 0.020 1 1451 122 132 LEU HB2 H 1.946 0.020 2 1452 122 132 LEU HB3 H 1.009 0.020 2 1453 122 132 LEU HG H 1.551 0.020 1 1454 122 132 LEU HD1 H 0.425 0.020 2 1455 122 132 LEU HD2 H 0.570 0.020 2 1456 122 132 LEU C C 178.530 0.400 1 1457 122 132 LEU CA C 58.250 0.400 1 1458 122 132 LEU CB C 41.820 0.400 1 1459 122 132 LEU CG C 26.101 0.400 1 1460 122 132 LEU CD1 C 26.025 0.400 1 1461 122 132 LEU CD2 C 22.769 0.400 1 1462 122 132 LEU N N 118.779 0.400 1 1463 123 133 GLN H H 8.162 0.020 1 1464 123 133 GLN HA H 3.447 0.020 1 1465 123 133 GLN HB2 H 1.952 0.020 2 1466 123 133 GLN HB3 H 1.954 0.020 2 1467 123 133 GLN HG2 H 1.937 0.020 2 1468 123 133 GLN HG3 H 2.256 0.020 2 1469 123 133 GLN HE21 H 6.710 0.020 1 1470 123 133 GLN HE22 H 6.711 0.020 1 1471 123 133 GLN C C 178.102 0.400 1 1472 123 133 GLN CA C 58.790 0.400 1 1473 123 133 GLN CB C 28.266 0.400 1 1474 123 133 GLN CG C 34.335 0.400 1 1475 123 133 GLN N N 116.024 0.400 1 1476 123 133 GLN NE2 N 110.760 0.400 1 1477 124 134 ARG H H 7.933 0.020 1 1478 124 134 ARG HA H 3.927 0.020 1 1479 124 134 ARG HB2 H 1.998 0.020 2 1480 124 134 ARG HB3 H 1.933 0.020 2 1481 124 134 ARG HG2 H 1.685 0.020 2 1482 124 134 ARG HG3 H 1.783 0.020 2 1483 124 134 ARG HD2 H 2.678 0.020 2 1484 124 134 ARG HD3 H 2.995 0.020 2 1485 124 134 ARG C C 178.034 0.400 1 1486 124 134 ARG CA C 58.387 0.400 1 1487 124 134 ARG CB C 29.609 0.400 1 1488 124 134 ARG CG C 26.581 0.400 1 1489 124 134 ARG CD C 43.060 0.400 1 1490 124 134 ARG N N 121.494 0.400 1 1491 125 135 GLY H H 7.417 0.020 1 1492 125 135 GLY HA2 H 2.148 0.020 2 1493 125 135 GLY HA3 H 2.470 0.020 2 1494 125 135 GLY C C 175.414 0.400 1 1495 125 135 GLY CA C 45.635 0.400 1 1496 125 135 GLY N N 108.517 0.400 1 1497 126 136 ILE H H 7.602 0.020 1 1498 126 136 ILE HA H 3.551 0.020 1 1499 126 136 ILE HB H 1.689 0.020 1 1500 126 136 ILE HG12 H 1.453 0.020 2 1501 126 136 ILE HG13 H 0.742 0.020 2 1502 126 136 ILE HG2 H 0.759 0.020 1 1503 126 136 ILE HD1 H 0.380 0.020 1 1504 126 136 ILE C C 180.174 0.400 1 1505 126 136 ILE CA C 64.641 0.400 1 1506 126 136 ILE CB C 37.550 0.400 1 1507 126 136 ILE CG1 C 29.167 0.400 1 1508 126 136 ILE CG2 C 16.282 0.400 1 1509 126 136 ILE CD1 C 12.524 0.400 1 1510 126 136 ILE N N 123.757 0.400 1 1511 127 137 GLN H H 8.516 0.020 1 1512 127 137 GLN HA H 3.938 0.020 1 1513 127 137 GLN HB2 H 2.084 0.020 2 1514 127 137 GLN HB3 H 2.086 0.020 2 1515 127 137 GLN HG2 H 2.395 0.020 2 1516 127 137 GLN HG3 H 2.397 0.020 2 1517 127 137 GLN HE21 H 7.447 0.020 2 1518 127 137 GLN HE22 H 6.778 0.020 2 1519 127 137 GLN C C 177.743 0.400 1 1520 127 137 GLN CA C 58.340 0.400 1 1521 127 137 GLN CB C 27.896 0.400 1 1522 127 137 GLN CG C 33.393 0.400 1 1523 127 137 GLN N N 122.266 0.400 1 1524 127 137 GLN NE2 N 111.454 0.400 1 1525 128 138 ASN H H 8.036 0.020 1 1526 128 138 ASN HA H 4.629 0.020 1 1527 128 138 ASN HB2 H 3.055 0.020 2 1528 128 138 ASN HB3 H 2.789 0.020 2 1529 128 138 ASN HD21 H 7.554 0.020 2 1530 128 138 ASN HD22 H 7.315 0.020 2 1531 128 138 ASN C C 173.736 0.400 1 1532 128 138 ASN CA C 52.831 0.400 1 1533 128 138 ASN CB C 38.221 0.400 1 1534 128 138 ASN N N 115.782 0.400 1 1535 128 138 ASN ND2 N 110.225 0.400 1 1536 129 139 GLN H H 7.765 0.020 1 1537 129 139 GLN HA H 3.837 0.020 1 1538 129 139 GLN HB2 H 2.390 0.020 2 1539 129 139 GLN HB3 H 2.133 0.020 2 1540 129 139 GLN HG2 H 2.149 0.020 2 1541 129 139 GLN HG3 H 2.277 0.020 2 1542 129 139 GLN HE21 H 7.496 0.020 2 1543 129 139 GLN HE22 H 6.801 0.020 2 1544 129 139 GLN C C 174.490 0.400 1 1545 129 139 GLN CA C 56.113 0.400 1 1546 129 139 GLN CB C 25.040 0.400 1 1547 129 139 GLN CG C 33.643 0.400 1 1548 129 139 GLN N N 112.452 0.400 1 1549 129 139 GLN NE2 N 112.240 0.400 1 1550 130 140 ALA H H 7.479 0.020 1 1551 130 140 ALA HA H 3.949 0.020 1 1552 130 140 ALA HB H 1.115 0.020 1 1553 130 140 ALA C C 175.842 0.400 1 1554 130 140 ALA CA C 52.666 0.400 1 1555 130 140 ALA CB C 18.708 0.400 1 1556 130 140 ALA N N 118.718 0.400 1 1557 131 141 GLU H H 7.859 0.020 1 1558 131 141 GLU HA H 4.906 0.020 1 1559 131 141 GLU HB2 H 2.174 0.020 2 1560 131 141 GLU HB3 H 1.876 0.020 2 1561 131 141 GLU HG2 H 2.457 0.020 2 1562 131 141 GLU HG3 H 2.550 0.020 2 1563 131 141 GLU CA C 52.736 0.400 1 1564 131 141 GLU CB C 32.236 0.400 1 1565 131 141 GLU CG C 34.175 0.400 1 1566 131 141 GLU N N 116.256 0.400 1 1567 132 142 PRO HA H 5.221 0.020 1 1568 132 142 PRO HB2 H 2.617 0.020 2 1569 132 142 PRO HB3 H 2.179 0.020 2 1570 132 142 PRO HG2 H 2.048 0.020 2 1571 132 142 PRO HG3 H 1.967 0.020 2 1572 132 142 PRO HD2 H 3.655 0.020 2 1573 132 142 PRO HD3 H 3.891 0.020 2 1574 132 142 PRO CA C 62.153 0.400 1 1575 132 142 PRO CB C 33.718 0.400 1 1576 132 142 PRO CG C 25.839 0.400 1 1577 132 142 PRO CD C 50.932 0.400 1 1578 133 143 ARG H H 9.253 0.020 1 1579 133 143 ARG HA H 4.201 0.020 1 1580 133 143 ARG HB2 H 1.911 0.020 1 1581 133 143 ARG HG2 H 1.697 0.020 1 1582 133 143 ARG HD2 H 3.216 0.020 1 1583 133 143 ARG CA C 59.419 0.400 1 1584 133 143 ARG CB C 30.436 0.400 1 1585 133 143 ARG CG C 26.609 0.400 1 1586 133 143 ARG CD C 43.014 0.400 1 1587 134 144 GLU H H 9.541 0.020 1 1588 134 144 GLU HA H 4.122 0.020 1 1589 134 144 GLU HB2 H 2.080 0.020 1 1590 134 144 GLU HB3 H 2.080 0.020 1 1591 134 144 GLU HG2 H 2.343 0.020 2 1592 134 144 GLU HG3 H 2.340 0.020 2 1593 134 144 GLU CG C 36.050 0.400 1 1594 135 145 PHE HA H 4.569 0.020 1 1595 135 145 PHE HB2 H 2.985 0.020 2 1596 135 145 PHE HB3 H 3.351 0.020 2 1597 135 145 PHE HD1 H 7.197 0.020 1 1598 135 145 PHE HD2 H 7.197 0.020 1 1599 135 145 PHE HE1 H 7.342 0.020 1 1600 135 145 PHE HE2 H 7.342 0.020 1 1601 135 145 PHE HZ H 7.325 0.020 1 1602 135 145 PHE C C 177.503 0.400 1 1603 135 145 PHE CA C 59.158 0.400 1 1604 135 145 PHE CB C 38.960 0.400 1 1605 135 145 PHE CD1 C 130.848 0.400 1 1606 135 145 PHE CD2 C 130.802 0.400 1 1607 135 145 PHE CE1 C 131.598 0.400 1 1608 135 145 PHE CE2 C 131.619 0.400 1 1609 135 145 PHE CZ C 130.075 0.400 1 1610 136 146 LEU H H 7.088 0.020 1 1611 136 146 LEU HA H 3.841 0.020 1 1612 136 146 LEU HB2 H 1.670 0.020 2 1613 136 146 LEU HB3 H 1.518 0.020 2 1614 136 146 LEU HG H 1.519 0.020 1 1615 136 146 LEU HD1 H 0.750 0.020 2 1616 136 146 LEU HD2 H 0.740 0.020 2 1617 136 146 LEU C C 178.171 0.400 1 1618 136 146 LEU CA C 57.751 0.400 1 1619 136 146 LEU CB C 41.464 0.400 1 1620 136 146 LEU CG C 27.107 0.400 1 1621 136 146 LEU CD1 C 25.429 0.400 1 1622 136 146 LEU CD2 C 25.043 0.400 1 1623 136 146 LEU N N 118.306 0.400 1 1624 137 147 GLN H H 8.073 0.020 1 1625 137 147 GLN HA H 3.943 0.020 1 1626 137 147 GLN HB2 H 2.155 0.020 2 1627 137 147 GLN HB3 H 2.186 0.020 2 1628 137 147 GLN HG2 H 2.458 0.020 2 1629 137 147 GLN HG3 H 2.352 0.020 2 1630 137 147 GLN HE21 H 7.419 0.020 2 1631 137 147 GLN HE22 H 6.819 0.020 2 1632 137 147 GLN C C 178.599 0.400 1 1633 137 147 GLN CA C 59.292 0.400 1 1634 137 147 GLN CB C 28.081 0.400 1 1635 137 147 GLN CG C 33.830 0.400 1 1636 137 147 GLN N N 117.278 0.400 1 1637 137 147 GLN NE2 N 110.761 0.400 1 1638 138 148 GLN H H 8.292 0.020 1 1639 138 148 GLN HA H 4.068 0.020 1 1640 138 148 GLN HB2 H 2.262 0.020 2 1641 138 148 GLN HB3 H 2.160 0.020 2 1642 138 148 GLN HG2 H 2.379 0.020 2 1643 138 148 GLN HG3 H 2.516 0.020 2 1644 138 148 GLN HE21 H 6.858 0.020 2 1645 138 148 GLN HE22 H 7.486 0.020 2 1646 138 148 GLN C C 178.599 0.400 1 1647 138 148 GLN CA C 58.745 0.400 1 1648 138 148 GLN CB C 27.849 0.400 1 1649 138 148 GLN CG C 33.124 0.400 1 1650 138 148 GLN N N 118.975 0.400 1 1651 138 148 GLN NE2 N 110.943 0.400 1 1652 139 149 GLN H H 8.059 0.020 1 1653 139 149 GLN HA H 3.954 0.020 1 1654 139 149 GLN HB2 H 1.865 0.020 2 1655 139 149 GLN HB3 H 1.968 0.020 2 1656 139 149 GLN HG2 H 1.758 0.020 2 1657 139 149 GLN HG3 H 2.047 0.020 2 1658 139 149 GLN HE21 H 6.926 0.020 1 1659 139 149 GLN HE22 H 6.926 0.020 1 1660 139 149 GLN C C 178.342 0.400 1 1661 139 149 GLN CA C 57.871 0.400 1 1662 139 149 GLN CB C 27.401 0.400 1 1663 139 149 GLN CG C 33.365 0.400 1 1664 139 149 GLN N N 118.152 0.400 1 1665 139 149 GLN NE2 N 113.828 0.400 1 1666 140 150 TYR H H 8.674 0.020 1 1667 140 150 TYR HA H 4.238 0.020 1 1668 140 150 TYR HB2 H 3.071 0.020 2 1669 140 150 TYR HB3 H 2.890 0.020 2 1670 140 150 TYR HD1 H 7.019 0.020 1 1671 140 150 TYR HD2 H 7.019 0.020 1 1672 140 150 TYR HE1 H 6.752 0.020 1 1673 140 150 TYR HE2 H 6.752 0.020 1 1674 140 150 TYR C C 176.698 0.400 1 1675 140 150 TYR CA C 61.029 0.400 1 1676 140 150 TYR CB C 38.120 0.400 1 1677 140 150 TYR CD1 C 132.438 0.400 1 1678 140 150 TYR CD2 C 132.616 0.400 1 1679 140 150 TYR CE1 C 117.740 0.400 1 1680 140 150 TYR CE2 C 117.950 0.400 1 1681 140 150 TYR N N 120.929 0.400 1 1682 141 151 ARG H H 8.078 0.020 1 1683 141 151 ARG HA H 3.914 0.020 1 1684 141 151 ARG HB2 H 1.946 0.020 2 1685 141 151 ARG HB3 H 1.927 0.020 2 1686 141 151 ARG HG2 H 1.819 0.020 2 1687 141 151 ARG HG3 H 1.627 0.020 2 1688 141 151 ARG HD2 H 3.206 0.020 1 1689 141 151 ARG HD3 H 3.206 0.020 1 1690 141 151 ARG C C 179.369 0.400 1 1691 141 151 ARG CA C 59.216 0.400 1 1692 141 151 ARG CB C 29.459 0.400 1 1693 141 151 ARG CG C 27.495 0.400 1 1694 141 151 ARG CD C 43.234 0.400 1 1695 141 151 ARG N N 119.129 0.400 1 1696 142 152 LEU H H 7.946 0.020 1 1697 142 152 LEU HA H 4.045 0.020 1 1698 142 152 LEU HB2 H 1.797 0.020 2 1699 142 152 LEU HB3 H 1.529 0.020 2 1700 142 152 LEU HG H 1.689 0.020 1 1701 142 152 LEU HD1 H 0.864 0.020 2 1702 142 152 LEU HD2 H 0.860 0.020 2 1703 142 152 LEU C C 179.489 0.400 1 1704 142 152 LEU CA C 57.609 0.400 1 1705 142 152 LEU CB C 41.352 0.400 1 1706 142 152 LEU CG C 26.687 0.400 1 1707 142 152 LEU CD1 C 24.593 0.400 1 1708 142 152 LEU CD2 C 22.912 0.400 1 1709 142 152 LEU N N 120.003 0.400 1 1710 143 153 PHE H H 8.252 0.020 1 1711 143 153 PHE HA H 4.011 0.020 1 1712 143 153 PHE HB2 H 3.077 0.020 2 1713 143 153 PHE HB3 H 3.098 0.020 2 1714 143 153 PHE HD1 H 7.083 0.020 1 1715 143 153 PHE HD2 H 7.083 0.020 1 1716 143 153 PHE HE1 H 7.129 0.020 1 1717 143 153 PHE HE2 H 7.129 0.020 1 1718 143 153 PHE HZ H 7.283 0.020 1 1719 143 153 PHE C C 177.212 0.400 1 1720 143 153 PHE CA C 60.673 0.400 1 1721 143 153 PHE CB C 38.245 0.400 1 1722 143 153 PHE CD1 C 131.079 0.400 1 1723 143 153 PHE CD2 C 131.168 0.400 1 1724 143 153 PHE CE1 C 130.664 0.400 1 1725 143 153 PHE CE2 C 130.640 0.400 1 1726 143 153 PHE CZ C 129.437 0.400 1 1727 143 153 PHE N N 121.237 0.400 1 1728 144 154 GLN H H 8.216 0.020 1 1729 144 154 GLN HA H 3.687 0.020 1 1730 144 154 GLN HB2 H 1.913 0.020 2 1731 144 154 GLN HB3 H 1.981 0.020 2 1732 144 154 GLN HG2 H 1.977 0.020 2 1733 144 154 GLN HG3 H 1.900 0.020 2 1734 144 154 GLN HE21 H 6.514 0.020 2 1735 144 154 GLN HE22 H 6.684 0.020 2 1736 144 154 GLN C C 178.992 0.400 1 1737 144 154 GLN CA C 58.447 0.400 1 1738 144 154 GLN CB C 28.576 0.400 1 1739 144 154 GLN CG C 33.606 0.400 1 1740 144 154 GLN N N 116.646 0.400 1 1741 144 154 GLN NE2 N 111.686 0.400 1 1742 145 155 THR H H 7.786 0.020 1 1743 145 155 THR HA H 4.009 0.020 1 1744 145 155 THR HB H 4.259 0.020 1 1745 145 155 THR HG2 H 1.238 0.020 1 1746 145 155 THR C C 175.842 0.400 1 1747 145 155 THR CA C 65.192 0.400 1 1748 145 155 THR CB C 68.746 0.400 1 1749 145 155 THR CG2 C 21.446 0.400 1 1750 145 155 THR N N 113.472 0.400 1 1751 146 156 ARG H H 7.644 0.020 1 1752 146 156 ARG HA H 4.129 0.020 1 1753 146 156 ARG HB2 H 1.732 0.020 2 1754 146 156 ARG HB3 H 1.839 0.020 2 1755 146 156 ARG HG2 H 1.725 0.020 2 1756 146 156 ARG HG3 H 1.482 0.020 2 1757 146 156 ARG HD2 H 3.133 0.020 2 1758 146 156 ARG HD3 H 3.014 0.020 2 1759 146 156 ARG C C 177.554 0.400 1 1760 146 156 ARG CA C 58.081 0.400 1 1761 146 156 ARG CB C 30.130 0.400 1 1762 146 156 ARG CG C 27.685 0.400 1 1763 146 156 ARG CD C 43.416 0.400 1 1764 146 156 ARG N N 121.186 0.400 1 1765 147 157 LEU H H 7.505 0.020 1 1766 147 157 LEU HA H 4.097 0.020 1 1767 147 157 LEU HB2 H 1.554 0.020 2 1768 147 157 LEU HB3 H 1.492 0.020 2 1769 147 157 LEU HG H 1.456 0.020 1 1770 147 157 LEU HD1 H 0.728 0.020 2 1771 147 157 LEU HD2 H 0.706 0.020 2 1772 147 157 LEU C C 177.640 0.400 1 1773 147 157 LEU CA C 55.856 0.400 1 1774 147 157 LEU CB C 42.021 0.400 1 1775 147 157 LEU CG C 26.335 0.400 1 1776 147 157 LEU CD1 C 24.975 0.400 1 1777 147 157 LEU CD2 C 23.222 0.400 1 1778 147 157 LEU N N 119.203 0.400 1 1779 148 158 THR H H 7.623 0.020 1 1780 148 158 THR HA H 4.307 0.020 1 1781 148 158 THR HB H 4.276 0.020 1 1782 148 158 THR HG2 H 1.190 0.020 1 1783 148 158 THR C C 174.353 0.400 1 1784 148 158 THR CA C 61.954 0.400 1 1785 148 158 THR CB C 69.675 0.400 1 1786 148 158 THR CG2 C 21.225 0.400 1 1787 148 158 THR N N 111.261 0.400 1 1788 149 159 GLU H H 8.007 0.020 1 1789 149 159 GLU HA H 4.370 0.020 1 1790 149 159 GLU HB2 H 1.962 0.020 2 1791 149 159 GLU HB3 H 2.092 0.020 2 1792 149 159 GLU HG2 H 2.221 0.020 2 1793 149 159 GLU HG3 H 2.311 0.020 2 1794 149 159 GLU C C 175.671 0.400 1 1795 149 159 GLU CA C 56.340 0.400 1 1796 149 159 GLU CB C 30.019 0.400 1 1797 149 159 GLU CG C 36.114 0.400 1 1798 149 159 GLU N N 123.064 0.400 1 1799 150 160 THR H H 7.727 0.020 1 1800 150 160 THR HA H 4.130 0.020 1 1801 150 160 THR HB H 4.207 0.020 1 1802 150 160 THR HG2 H 1.155 0.020 1 1803 150 160 THR CA C 62.880 0.400 1 1804 150 160 THR CB C 70.540 0.400 1 1805 150 160 THR CG2 C 21.480 0.400 1 1806 150 160 THR N N 120.055 0.400 1 stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_NC5 stop_ _Details . _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 599.520 _Text_data_format . _Text_data . loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value _Residual_dipolar_coupling_value_error DHN 15 GLU H 15 GLU N -12.885 ? ? . . . DHN 22 GLU H 22 GLU N -18.332 ? ? . . . DHN 25 MET H 25 MET N -17.467 ? ? . . . DHN 26 GLN H 26 GLN N -17.962 ? ? . . . DHN 28 TYR H 28 TYR N -9.084 ? ? . . . DHN 35 GLY H 35 GLY N -17.486 ? ? . . . DHN 40 TYR H 40 TYR N -10.960 ? ? . . . DHN 41 ILE H 41 ILE N -17.470 ? ? . . . DHN 44 VAL H 44 VAL N -14.968 ? ? . . . DHN 45 GLU H 45 GLU N -17.200 ? ? . . . DHN 47 ASN H 47 ASN N -13.931 ? ? . . . DHN 48 PHE H 48 PHE N -10.420 ? ? . . . DHN 50 GLU H 50 GLU N 13.429 ? ? . . . DHN 53 GLU H 53 GLU N -14.806 ? ? . . . DHN 57 THR H 57 THR N -11.198 ? ? . . . DHN 59 LEU H 59 LEU N -18.545 ? ? . . . DHN 60 GLU H 60 GLU N -13.894 ? ? . . . DHN 62 LEU H 62 LEU N -14.573 ? ? . . . DHN 63 MET H 63 MET N -19.516 ? ? . . . DHN 64 LYS H 64 LYS N -13.885 ? ? . . . DHN 65 GLU H 65 GLU N -12.653 ? ? . . . DHN 66 PHE H 66 PHE N -16.319 ? ? . . . DHN 67 LEU H 67 LEU N -5.333 ? ? . . . DHN 68 ASP H 68 ASP N 11.760 ? ? . . . DHN 72 TYR H 72 TYR N 4.250 ? ? . . . DHN 73 HIS H 73 HIS N -11.019 ? ? . . . DHN 74 ASN H 74 ASN N -2.145 ? ? . . . DHN 75 ASP H 75 ASP N 2.800 ? ? . . . DHN 77 ARG H 77 ARG N -16.098 ? ? . . . DHN 78 PHE H 78 PHE N -15.842 ? ? . . . DHN 79 ILE H 79 ILE N -15.933 ? ? . . . DHN 80 SER H 80 SER N -13.783 ? ? . . . DHN 82 CYS H 82 CYS N -18.440 ? ? . . . DHN 83 LEU H 83 LEU N -13.510 ? ? . . . DHN 84 LYS H 84 LYS N -12.333 ? ? . . . DHN 85 PHE H 85 PHE N -18.921 ? ? . . . DHN 88 TYR H 88 TYR N -17.633 ? ? . . . DHN 89 ASN H 89 ASN N 1.631 ? ? . . . DHN 92 LEU H 92 LEU N -11.091 ? ? . . . DHN 93 HIS H 93 HIS N -12.407 ? ? . . . DHN 100 TYR H 100 TYR N -16.147 ? ? . . . DHN 101 ASN H 101 ASN N -19.278 ? ? . . . DHN 102 HIS H 102 HIS N -13.249 ? ? . . . DHN 103 GLY H 103 GLY N 3.873 ? ? . . . DHN 105 GLY H 105 GLY N 1.359 ? ? . . . DHN 106 THR H 106 THR N 10.544 ? ? . . . DHN 107 LEU H 107 LEU N 19.699 ? ? . . . DHN 108 SER H 108 SER N -2.847 ? ? . . . DHN 109 SER H 109 SER N -11.044 ? ? . . . DHN 112 TYR H 112 TYR N -15.462 ? ? . . . DHN 113 ILE H 113 ILE N -6.680 ? ? . . . DHN 114 ALA H 114 ALA N -7.894 ? ? . . . DHN 115 TRP H 115 TRP N -16.043 ? ? . . . DHN 116 ALA H 116 ALA N -14.048 ? ? . . . DHN 117 GLY H 117 GLY N -3.610 ? ? . . . DHN 118 HIS H 118 HIS N -9.070 ? ? . . . DHN 119 LEU H 119 LEU N -16.214 ? ? . . . DHN 120 GLU H 120 GLU N -8.181 ? ? . . . DHN 121 ALA H 121 ALA N -0.300 ? ? . . . DHN 123 GLY H 123 GLY N -5.638 ? ? . . . DHN 124 GLU H 124 GLU N 9.545 ? ? . . . DHN 125 LEU H 125 LEU N -10.396 ? ? . . . DHN 126 GLN H 126 GLN N -13.450 ? ? . . . DHN 128 ALA H 128 ALA N -12.399 ? ? . . . DHN 129 SER H 129 SER N -9.137 ? ? . . . DHN 130 ALA H 130 ALA N -15.225 ? ? . . . DHN 132 LEU H 132 LEU N -7.320 ? ? . . . DHN 133 GLN H 133 GLN N -13.024 ? ? . . . DHN 135 GLY H 135 GLY N -16.805 ? ? . . . DHN 136 ILE H 136 ILE N -11.252 ? ? . . . DHN 137 GLN H 137 GLN N -16.131 ? ? . . . DHN 138 ASN H 138 ASN N -19.327 ? ? . . . DHN 139 GLN H 139 GLN N 9.284 ? ? . . . DHN 146 LEU H 146 LEU N -11.469 ? ? . . . DHN 147 GLN H 147 GLN N -5.945 ? ? . . . DHN 148 GLN H 148 GLN N 5.659 ? ? . . . DHN 149 GLN H 149 GLN N -0.865 ? ? . . . DHN 150 TYR H 150 TYR N -9.613 ? ? . . . DHN 151 ARG H 151 ARG N -4.946 ? ? . . . DHN 152 LEU H 152 LEU N 5.981 ? ? . . . DHN 153 PHE H 153 PHE N -5.249 ? ? . . . DHN 154 GLN H 154 GLN N -9.321 ? ? . . . DHN 155 THR H 155 THR N 5.293 ? ? . . . DHN 156 ARG H 156 ARG N 2.064 ? ? . . . stop_ save_